In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
September 1st, 2009 | 25 | 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) | 4.51 | 13 | -49.09 | 0 | 4 | -1 | 58 | 335.427 | 8 | ↓ |
Lo Low (pH 4.5-6) | 4.51 | 11.02 | -10.82 | 1 | 4 | 0 | 55 | 336.435 | 8 | ↓ |