In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 15th, 2008 | 17 | 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) | 1.22 | 4.42 | -41.62 | 3 | 4 | 1 | 46 | 236.339 | 7 | ↓ |
Mid Mid (pH 6-8) | 1.22 | 5.82 | -109.46 | 4 | 4 | 2 | 50 | 237.347 | 7 | ↓ |
Mid Mid (pH 6-8) | 1.22 | 3.28 | -47.6 | 3 | 4 | 1 | 49 | 236.339 | 7 | ↓ |