| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| December 13th, 2010 | 21 | Yes |
Popular Name: (3R)-N-allyl-1-(2-amino-2-oxo-ethyl)-N-cyclopentyl-piperidine-3-carboxamide (3R)-N-allyl-1-(2-amino-2-oxo-et…
| 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) | 1.24 | 5.48 | -38.77 | 3 | 5 | 1 | 68 | 294.419 | 6 | ↓ |
| Mid Mid (pH 6-8) | 1.24 | 3.21 | -10.01 | 2 | 5 | 0 | 67 | 293.411 | 6 | ↓ |
Popular Name: (2S)-N-allyl-2-amino-N-cyclopentyl-2-methyl-pentanamide (2S)-N-allyl-2-amino-N-cyclopent…
| 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 | 6.04 | -43.57 | 3 | 3 | 1 | 48 | 239.383 | 6 | ↓ |
| Hi High (pH 8-9.5) | 2.99 | 5.93 | -5.89 | 2 | 3 | 0 | 46 | 238.375 | 6 | ↓ |
Popular Name: (2R)-N-allyl-2-amino-N-cyclopentyl-2-methyl-pentanamide (2R)-N-allyl-2-amino-N-cyclopent…
| 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 | 5.99 | -43.46 | 3 | 3 | 1 | 48 | 239.383 | 6 | ↓ |
| Hi High (pH 8-9.5) | 2.99 | 5.11 | -5.05 | 2 | 3 | 0 | 46 | 238.375 | 6 | ↓ |
