In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
July 15th, 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) | -0.13 | 1.63 | -42.35 | 5 | 5 | 1 | 85 | 235.311 | 4 | ↓ |
Lo Low (pH 4.5-6) | -0.13 | 1.98 | -85.23 | 6 | 5 | 2 | 86 | 236.319 | 4 | ↓ |