In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
March 15th, 2010 | 38 | 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) | 6.21 | 12.5 | -15.96 | 2 | 7 | 0 | 91 | 510.638 | 10 | ↓ |
Hi High (pH 8-9.5) | 6.21 | 13.64 | -39.9 | 1 | 7 | -1 | 94 | 509.63 | 10 | ↓ |