| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| August 21st, 2009 | 14 | Yes |
| 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) | 1.69 | 5.42 | -34.11 | 2 | 2 | 1 | 16 | 191.298 | 2 | ↓ |
| Mid Mid (pH 6-8) | 1.69 | 6.31 | -112.55 | 3 | 2 | 2 | 21 | 192.306 | 2 | ↓ |
| Mid Mid (pH 6-8) | 1.69 | 3.91 | -36.44 | 2 | 2 | 1 | 20 | 191.298 | 2 | ↓ |
Popular Name: (1R,2S)-N1,N2-dimethyl-N2-(2,2,2-trifluoroethyl)indane-1,2-diamine (1R,2S)-N1,N2-dimethyl-N2-(2,2,2…
| 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) | 2.62 | 6.26 | -35.47 | 2 | 2 | 1 | 20 | 259.295 | 4 | ↓ |
| Hi High (pH 8-9.5) | 2.62 | 5.35 | -4.14 | 1 | 2 | 0 | 15 | 258.287 | 4 | ↓ |
Popular Name: (1S,2S)-N1,N2-dimethyl-N2-(2,2,2-trifluoroethyl)indane-1,2-diamine (1S,2S)-N1,N2-dimethyl-N2-(2,2,2…
| 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) | 2.62 | 5.19 | -42.07 | 2 | 2 | 1 | 20 | 259.295 | 4 | ↓ |
| Hi High (pH 8-9.5) | 2.62 | 4.35 | -3.13 | 1 | 2 | 0 | 15 | 258.287 | 4 | ↓ |
Popular Name: (1R,2R)-N1,N2-dimethyl-N2-(2,2,2-trifluoroethyl)indane-1,2-diamine (1R,2R)-N1,N2-dimethyl-N2-(2,2,2…
| 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) | 2.62 | 4.82 | -39.46 | 2 | 2 | 1 | 20 | 259.295 | 4 | ↓ |
| Hi High (pH 8-9.5) | 2.62 | 3.59 | -3.27 | 1 | 2 | 0 | 15 | 258.287 | 4 | ↓ |
Popular Name: (1S,2R)-N1,N2-dimethyl-N2-(2,2,2-trifluoroethyl)indane-1,2-diamine (1S,2R)-N1,N2-dimethyl-N2-(2,2,2…
| 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) | 2.62 | 6.35 | -34.5 | 2 | 2 | 1 | 20 | 259.295 | 4 | ↓ |
| Hi High (pH 8-9.5) | 2.62 | 4.56 | -3.35 | 1 | 2 | 0 | 15 | 258.287 | 4 | ↓ |
Popular Name: (1S,2R)-N2-ethyl-N1-methyl-N2-(2,2,2-trifluoroethyl)indane-1,2-diamine (1S,2R)-N2-ethyl-N1-methyl-N2-(2…
| 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) | 2.99 | 7.14 | -33.49 | 2 | 2 | 1 | 20 | 273.322 | 5 | ↓ |
| Hi High (pH 8-9.5) | 2.99 | 6.01 | -4.13 | 1 | 2 | 0 | 15 | 272.314 | 5 | ↓ |
Popular Name: (1S,2S)-N2-ethyl-N1-methyl-N2-(2,2,2-trifluoroethyl)indane-1,2-diamine (1S,2S)-N2-ethyl-N1-methyl-N2-(2…
| 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) | 2.99 | 5.7 | -41.05 | 2 | 2 | 1 | 20 | 273.322 | 5 | ↓ |
| Hi High (pH 8-9.5) | 2.99 | 4.49 | -3.35 | 1 | 2 | 0 | 15 | 272.314 | 5 | ↓ |
