In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
October 1st, 2009 | 17 | 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) | 0.85 | -2.33 | -39.96 | 2 | 6 | -1 | 108 | 297.765 | 4 | ↓ |
Mid Mid (pH 6-8) | 0.85 | -2.49 | -15.6 | 3 | 6 | 0 | 106 | 298.773 | 4 | ↓ |