In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
July 19th, 2010 | 13 | Yes |
None
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) | 0.60 | 2.63 | -43.13 | 4 | 2 | 1 | 40 | 177.271 | 4 | ↓ |
Mid Mid (pH 6-8) | 0.60 | 3.9 | -119.96 | 5 | 2 | 2 | 44 | 178.279 | 4 | ↓ |
Mid Mid (pH 6-8) | 0.60 | 3.52 | -37.96 | 4 | 2 | 1 | 43 | 177.271 | 4 | ↓ |