In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
April 5th, 2010 | 33 | 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) | 4.83 | 12.29 | -19.05 | 2 | 6 | 0 | 76 | 440.547 | 6 | ↓ |
Mid Mid (pH 6-8) | 4.83 | 12.85 | -39.96 | 3 | 6 | 1 | 77 | 441.555 | 6 | ↓ |