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) | 4.40 | 10.48 | -47.87 | 2 | 6 | 1 | 71 | 502.429 | 9 | ↓ |
Mid Mid (pH 6-8) | 3.82 | 0.46 | -58.26 | 1 | 6 | 1 | 68 | 502.429 | 9 | ↓ |