In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
July 29th, 2010 | 31 | 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) | -4.51 | 0.69 | -84.2 | 8 | 11 | 0 | 203 | 433.465 | 10 | ↓ |
Hi High (pH 8-9.5) | -4.51 | 0.35 | -81.73 | 7 | 11 | -1 | 202 | 432.457 | 10 | ↓ |