In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
April 24th, 2010 | 18 | 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) | 2.91 | 9.37 | -43.82 | 1 | 4 | 0 | 58 | 250.342 | 6 | ↓ |
Mid Mid (pH 6-8) | 2.91 | 9.11 | -45.99 | 0 | 4 | -1 | 56 | 249.334 | 6 | ↓ |