In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
April 18th, 2010 | 16 | 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) | 1.85 | 2.77 | -9.14 | 2 | 3 | 0 | 41 | 218.3 | 1 | ↓ |
Mid Mid (pH 6-8) | 1.85 | 4.06 | -45.49 | 3 | 3 | 1 | 46 | 219.308 | 1 | ↓ |