In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
August 16th, 2007 | 32 | 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) | 4.70 | 10.83 | -57.94 | 0 | 6 | -1 | 79 | 501.397 | 9 | ↓ |
Mid Mid (pH 6-8) | 4.12 | -0.16 | -19.58 | 0 | 6 | 0 | 72 | 502.405 | 9 | ↓ |