In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
April 19th, 2010 | 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) | -0.86 | 2.6 | -37.44 | 1 | 4 | 1 | 28 | 186.279 | 2 | ↓ |
Mid Mid (pH 6-8) | -0.86 | 2.4 | -35.87 | 1 | 4 | 1 | 28 | 186.279 | 2 | ↓ |
Mid Mid (pH 6-8) | -0.86 | 0.21 | -8.36 | 0 | 4 | 0 | 27 | 185.271 | 2 | ↓ |