| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 19th, 2009 | 19 | Yes |
Popular Name: (3S)-3-(4-pyrimidin-2-yl-1,4-diazepan-1-yl)pentan-1-amine (3S)-3-(4-pyrimidin-2-yl-1,4-dia…
| 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) | 0.86 | 6.32 | -42.75 | 3 | 5 | 1 | 60 | 264.397 | 5 | ↓ |
| Mid Mid (pH 6-8) | 0.86 | 7.68 | -104.75 | 4 | 5 | 2 | 61 | 265.405 | 5 | ↓ |
