| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 19th, 2009 | 20 | Yes |
Popular Name: (3S)-3-(4-butylsulfonyl-1,4-diazepan-1-yl)pentan-1-amine (3S)-3-(4-butylsulfonyl-1,4-diaz…
| 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) | 1.26 | 2.33 | -54.5 | 3 | 5 | 1 | 68 | 306.496 | 8 | ↓ |
| Mid Mid (pH 6-8) | 1.26 | 3.74 | -113.92 | 4 | 5 | 2 | 69 | 307.504 | 8 | ↓ |
