In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
June 22nd, 2008 | 24 | Yes |
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) | 3.89 | 7.3 | -45.38 | 0 | 4 | -1 | 56 | 390.232 | 1 | ↓ |
Mid Mid (pH 6-8) | 3.40 | 7.52 | -14.84 | 0 | 4 | 0 | 50 | 391.24 | 1 | ↓ |
Mid Mid (pH 6-8) | 3.40 | 7.74 | -17.74 | 0 | 4 | 0 | 50 | 391.24 | 1 | ↓ |
Mid Mid (pH 6-8) | 3.30 | 7.12 | -18.32 | 0 | 4 | 0 | 50 | 391.24 | 1 | ↓ |