In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
October 11th, 2009 | 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) | 4.19 | 11.25 | -24.39 | 2 | 7 | 0 | 87 | 500.422 | 4 | ↓ |
Hi High (pH 8-9.5) | 4.38 | 9.31 | -59.04 | 1 | 7 | -1 | 94 | 499.414 | 4 | ↓ |