| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| February 1st, 2009 | 35 | Yes |
Popular Name: diamino-(azepan-1-yl)-(2-naphthyl)-oxo-BLAHcarbonitrile diamino-(azepan-1-yl)-(2-naphthy…
| 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) | 4.89 | 11.27 | -13.61 | 5 | 8 | 0 | 130 | 463.545 | 2 | ↓ |
| Mid Mid (pH 6-8) | 4.89 | 11.71 | -15.4 | 6 | 8 | 0 | 131 | 464.553 | 2 | ↓ |
| Mid Mid (pH 6-8) | 4.89 | 12.48 | -50.86 | 5 | 8 | 0 | 134 | 463.545 | 2 | ↓ |
| Mid Mid (pH 6-8) | 4.89 | 12.04 | -23.48 | 4 | 8 | 0 | 133 | 462.537 | 2 | ↓ |
