In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
October 31st, 2008 | 14 | 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) | 1.36 | 1.96 | -41.58 | 3 | 3 | 1 | 40 | 201.334 | 5 | ↓ |
Mid Mid (pH 6-8) | 1.36 | 3.87 | -115.55 | 4 | 3 | 2 | 41 | 202.342 | 5 | ↓ |