| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 19th, 2009 | 20 | Yes |
Popular Name: (3S)-3-[4-(5-methyl-2-pyridyl)-1,4-diazepan-1-yl]pentan-1-amine (3S)-3-[4-(5-methyl-2-pyridyl)-1…
| 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) | 1.70 | 6.5 | -90.23 | 4 | 4 | 2 | 48 | 278.444 | 5 | ↓ |
| Hi High (pH 8-9.5) | 1.70 | 6.18 | -42.1 | 3 | 4 | 1 | 47 | 277.436 | 5 | ↓ |
| Mid Mid (pH 6-8) | 1.70 | 7.88 | -184.18 | 5 | 4 | 3 | 49 | 279.452 | 5 | ↓ |
| Mid Mid (pH 6-8) | 1.70 | 7.53 | -105.71 | 4 | 4 | 2 | 48 | 278.444 | 5 | ↓ |
