In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
April 2nd, 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) | 4.77 | 12.03 | -14.05 | 1 | 6 | 0 | 69 | 442.563 | 10 | ↓ |
Mid Mid (pH 6-8) | 4.77 | 12.54 | -36.5 | 2 | 6 | 1 | 70 | 443.571 | 10 | ↓ |