In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
October 31st, 2008 | 18 | Yes |
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) | 2.02 | 3.56 | -43.77 | 3 | 3 | 1 | 40 | 271.812 | 8 | ↓ |
Mid Mid (pH 6-8) | 2.02 | 4.38 | -36.17 | 3 | 3 | 1 | 37 | 271.812 | 8 | ↓ |