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) | 1.62 | 4.48 | -38.54 | 3 | 4 | 1 | 46 | 244.403 | 10 | ↓ |
Mid Mid (pH 6-8) | 1.62 | 5.88 | -105.27 | 4 | 4 | 2 | 50 | 245.411 | 10 | ↓ |
Mid Mid (pH 6-8) | 1.62 | 3.57 | -43.43 | 3 | 4 | 1 | 49 | 244.403 | 10 | ↓ |