| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| July 21st, 2010 | 20 | Yes |
Popular Name: 4-[(1S)-2-[[(3S)-1-cyclopropylpyrrolidin-3-yl]amino]-1-hydroxy-ethyl]benzonitrile 4-[(1S)-2-[[(3S)-1-cyclopropylpy…
| 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) | 1.18 | 6.36 | -124.12 | 4 | 4 | 2 | 65 | 273.38 | 5 | ↓ |
| Hi High (pH 8-9.5) | 1.18 | 2.77 | -6.82 | 2 | 4 | 0 | 59 | 271.364 | 5 | ↓ |
| Mid Mid (pH 6-8) | 1.18 | 5.18 | -38.03 | 3 | 4 | 1 | 60 | 272.372 | 5 | ↓ |
| Lo Low (pH 4.5-6) | 1.18 | 3.95 | -52.32 | 3 | 4 | 1 | 64 | 272.372 | 5 | ↓ |
