In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
July 12th, 2006 | 39 | 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) | 1.39 | -0.91 | -66.82 | 2 | 11 | 1 | 117 | 541.577 | 9 | ↓ |
Mid Mid (pH 6-8) | 0.81 | -1.07 | -76.49 | 1 | 11 | 1 | 114 | 541.577 | 9 | ↓ |