In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 17th, 2009 | 17 | 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) | 3.94 | 7.5 | -50.79 | 1 | 3 | -1 | 52 | 311.18 | 4 | ↓ |
Lo Low (pH 4.5-6) | 3.94 | 5.53 | -7.85 | 2 | 3 | 0 | 49 | 312.188 | 4 | ↓ |