In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
April 29th, 2010 | 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) | 0.59 | 4.97 | -39.78 | 5 | 7 | 1 | 109 | 234.287 | 5 | ↓ |
Lo Low (pH 4.5-6) | 0.59 | 5.24 | -85.19 | 6 | 7 | 2 | 111 | 235.295 | 5 | ↓ |