In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
September 1st, 2009 | 22 | 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) | 4.32 | 10.79 | -9.73 | 0 | 3 | 0 | 33 | 288.35 | 3 | ↓ |
Lo Low (pH 4.5-6) | 4.32 | 11.25 | -39.67 | 1 | 3 | 1 | 34 | 289.358 | 3 | ↓ |