In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
June 16th, 2008 | 23 | 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) | 4.31 | 8.53 | -49.61 | 1 | 3 | -1 | 60 | 315.433 | 2 | ↓ |
Lo Low (pH 4.5-6) | 4.31 | 6.64 | -7.02 | 2 | 3 | 0 | 58 | 316.441 | 2 | ↓ |