In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
March 5th, 2010 | 30 | 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) | 6.20 | 14.71 | -53.82 | 1 | 4 | 1 | 38 | 463.092 | 9 | ↓ |
Hi High (pH 8-9.5) | 6.20 | 13.01 | -13.18 | 0 | 4 | 0 | 36 | 462.084 | 9 | ↓ |