In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
September 29th, 2009 | 31 | 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) | 4.19 | 10.3 | -12.63 | 1 | 5 | 0 | 51 | 428.548 | 8 | ↓ |
Mid Mid (pH 6-8) | 4.19 | 11.92 | -54.57 | 2 | 5 | 1 | 52 | 429.556 | 8 | ↓ |