In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
July 21st, 2009 | 24 | 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) | 7.62 | 17.05 | -43.85 | 0 | 2 | -1 | 40 | 331.52 | 16 | ↓ |
Lo Low (pH 4.5-6) | 7.62 | 15.07 | -5.58 | 1 | 2 | 0 | 37 | 332.528 | 16 | ↓ |