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) | 5.39 | 13.62 | -45.39 | 2 | 5 | 1 | 62 | 435.588 | 9 | ↓ |
Mid Mid (pH 6-8) | 4.36 | 2.37 | -42.89 | 1 | 5 | 1 | 58 | 435.588 | 10 | ↓ |