In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
December 13th, 2008 | 13 | 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) | 0.28 | 2.62 | -93.96 | 4 | 3 | 2 | 35 | 187.331 | 4 | ↓ |
Mid Mid (pH 6-8) | 0.28 | 2.16 | -120.71 | 4 | 3 | 2 | 35 | 187.331 | 4 | ↓ |
Mid Mid (pH 6-8) | 0.28 | 0.31 | -41.08 | 3 | 3 | 1 | 34 | 186.323 | 4 | ↓ |