In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
June 23rd, 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) | 1.20 | 5.93 | -39.29 | 3 | 3 | 1 | 45 | 182.291 | 7 | ↓ |
Mid Mid (pH 6-8) | 1.20 | 6.4 | -81.19 | 4 | 3 | 2 | 47 | 183.299 | 7 | ↓ |
Mid Mid (pH 6-8) | 1.20 | 5.89 | -41.68 | 3 | 3 | 1 | 45 | 182.291 | 7 | ↓ |