In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
March 16th, 2010 | 35 | 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) | 7.13 | 13.39 | -10.09 | 2 | 5 | 0 | 69 | 486.015 | 5 | ↓ |
Mid Mid (pH 6-8) | 7.13 | 14.16 | -47.58 | 1 | 5 | -1 | 72 | 485.007 | 5 | ↓ |