| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 11th, 2009 | 19 | Yes |
Popular Name: 1-[2-oxo-2-[[(1R)-1-[(2R)-tetrahydrofuran-2-yl]ethyl]amino]ethyl]cyclopentanecarboxylic 1-[2-oxo-2-[[(1R)-1-[(2R)-tetrah…
| Type pH range | xlogP | Des A‑Pol Apolar desolvation (kcal/mol) | Des Pol Polar desolvation (kcal/mol) | H Don H-bond donors | H Acc H-bond acceptors | Chg Net charge | tPSA (Ų) | MWT Molecular weight (g/mol) | RB Rotatable bonds | DL |
|---|---|---|---|---|---|---|---|---|---|---|
| Ref Reference (pH 7) | 1.12 | 6.64 | -59.2 | 1 | 5 | -1 | 78 | 268.333 | 5 | ↓ |
| Mid Mid (pH 6-8) | 1.12 | 4.17 | -12.47 | 2 | 5 | 0 | 76 | 269.341 | 5 | ↓ |
| Type pH range | xlogP | Des A‑Pol Apolar desolvation (kcal/mol) | Des Pol Polar desolvation (kcal/mol) | H Don H-bond donors | H Acc H-bond acceptors | Chg Net charge | tPSA (Ų) | MWT Molecular weight (g/mol) | RB Rotatable bonds | DL |
|---|---|---|---|---|---|---|---|---|---|---|
| Ref Reference (pH 7) | 1.39 | 7.46 | -57.7 | 0 | 5 | -1 | 70 | 280.344 | 3 | ↓ |
| Lo Low (pH 4.5-6) | 1.39 | 5.38 | -13.56 | 1 | 5 | 0 | 67 | 281.352 | 3 | ↓ |
| Type pH range | xlogP | Des A‑Pol Apolar desolvation (kcal/mol) | Des Pol Polar desolvation (kcal/mol) | H Don H-bond donors | H Acc H-bond acceptors | Chg Net charge | tPSA (Ų) | MWT Molecular weight (g/mol) | RB Rotatable bonds | DL |
|---|---|---|---|---|---|---|---|---|---|---|
| Ref Reference (pH 7) | 1.39 | 7.8 | -59.1 | 0 | 5 | -1 | 70 | 280.344 | 3 | ↓ |
| Lo Low (pH 4.5-6) | 1.39 | 5.26 | -14.25 | 1 | 5 | 0 | 67 | 281.352 | 3 | ↓ |
| Type pH range | xlogP | Des A‑Pol Apolar desolvation (kcal/mol) | Des Pol Polar desolvation (kcal/mol) | H Don H-bond donors | H Acc H-bond acceptors | Chg Net charge | tPSA (Ų) | MWT Molecular weight (g/mol) | RB Rotatable bonds | DL |
|---|---|---|---|---|---|---|---|---|---|---|
| Ref Reference (pH 7) | 1.39 | 7.78 | -59.69 | 0 | 5 | -1 | 70 | 280.344 | 3 | ↓ |
| Lo Low (pH 4.5-6) | 1.39 | 5.24 | -14.2 | 1 | 5 | 0 | 67 | 281.352 | 3 | ↓ |
| Type pH range | xlogP | Des A‑Pol Apolar desolvation (kcal/mol) | Des Pol Polar desolvation (kcal/mol) | H Don H-bond donors | H Acc H-bond acceptors | Chg Net charge | tPSA (Ų) | MWT Molecular weight (g/mol) | RB Rotatable bonds | DL |
|---|---|---|---|---|---|---|---|---|---|---|
| Ref Reference (pH 7) | 1.39 | 7.47 | -58.76 | 0 | 5 | -1 | 70 | 280.344 | 3 | ↓ |
| Lo Low (pH 4.5-6) | 1.39 | 5.05 | -13.7 | 1 | 5 | 0 | 67 | 281.352 | 3 | ↓ |
Popular Name: 1-[2-oxo-2-[[(1S)-1-[(2S)-tetrahydrofuran-2-yl]ethyl]amino]ethyl]cyclopentanecarboxylic 1-[2-oxo-2-[[(1S)-1-[(2S)-tetrah…
| Type pH range | xlogP | Des A‑Pol Apolar desolvation (kcal/mol) | Des Pol Polar desolvation (kcal/mol) | H Don H-bond donors | H Acc H-bond acceptors | Chg Net charge | tPSA (Ų) | MWT Molecular weight (g/mol) | RB Rotatable bonds | DL |
|---|---|---|---|---|---|---|---|---|---|---|
| Ref Reference (pH 7) | 1.12 | 6.64 | -57.19 | 1 | 5 | -1 | 78 | 268.333 | 5 | ↓ |
| Mid Mid (pH 6-8) | 1.12 | 4.18 | -13.09 | 2 | 5 | 0 | 76 | 269.341 | 5 | ↓ |
Popular Name: 1-[2-oxo-2-[[(1R)-1-[(2S)-tetrahydrofuran-2-yl]ethyl]amino]ethyl]cyclopentanecarboxylic 1-[2-oxo-2-[[(1R)-1-[(2S)-tetrah…
| Type pH range | xlogP | Des A‑Pol Apolar desolvation (kcal/mol) | Des Pol Polar desolvation (kcal/mol) | H Don H-bond donors | H Acc H-bond acceptors | Chg Net charge | tPSA (Ų) | MWT Molecular weight (g/mol) | RB Rotatable bonds | DL |
|---|---|---|---|---|---|---|---|---|---|---|
| Ref Reference (pH 7) | 1.12 | 6.12 | -59.41 | 1 | 5 | -1 | 78 | 268.333 | 5 | ↓ |
| Mid Mid (pH 6-8) | 1.12 | 3.65 | -12.36 | 2 | 5 | 0 | 76 | 269.341 | 5 | ↓ |
Popular Name: 1-[2-oxo-2-[[(1S)-1-[(2R)-tetrahydrofuran-2-yl]ethyl]amino]ethyl]cyclopentanecarboxylic 1-[2-oxo-2-[[(1S)-1-[(2R)-tetrah…
| Type pH range | xlogP | Des A‑Pol Apolar desolvation (kcal/mol) | Des Pol Polar desolvation (kcal/mol) | H Don H-bond donors | H Acc H-bond acceptors | Chg Net charge | tPSA (Ų) | MWT Molecular weight (g/mol) | RB Rotatable bonds | DL |
|---|---|---|---|---|---|---|---|---|---|---|
| Ref Reference (pH 7) | 1.12 | 6.09 | -57.59 | 1 | 5 | -1 | 78 | 268.333 | 5 | ↓ |
| Mid Mid (pH 6-8) | 1.12 | 3.64 | -12.47 | 2 | 5 | 0 | 76 | 269.341 | 5 | ↓ |
