In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
May 7th, 2010 | 35 | 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) | -0.08 | 7.24 | -51.85 | 6 | 11 | 0 | 173 | 502.597 | 12 | ↓ |
Hi High (pH 8-9.5) | -0.08 | 6.93 | -57.97 | 5 | 11 | -1 | 171 | 501.589 | 12 | ↓ |