In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
April 12th, 2009 | 30 | 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) | 4.57 | 8.45 | -13.3 | 0 | 6 | 0 | 62 | 445.35 | 4 | ↓ |
Mid Mid (pH 6-8) | 4.57 | 10.68 | -52.67 | 1 | 6 | 1 | 64 | 446.358 | 4 | ↓ |