In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 18th, 2008 | 38 | No |
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) | 5.40 | 14.62 | -68.27 | 1 | 6 | 0 | 74 | 516.613 | 11 | ↓ |
Hi High (pH 8-9.5) | 5.40 | 12.29 | -57.63 | 0 | 6 | -1 | 73 | 515.605 | 11 | ↓ |