In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
July 28th, 2009 | 30 | No |
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) | 6.53 | 14.18 | -6.83 | 0 | 3 | 0 | 20 | 416.952 | 3 | ↓ |
Lo Low (pH 4.5-6) | 6.53 | 16.06 | -43.68 | 1 | 3 | 1 | 21 | 417.96 | 3 | ↓ |