In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
January 24th, 2011 | 30 | 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) | 3.94 | 13.19 | -96.88 | 2 | 5 | 2 | 42 | 417.569 | 8 | ↓ |
Mid Mid (pH 6-8) | 3.94 | 10.97 | -43.89 | 1 | 5 | 1 | 41 | 416.561 | 8 | ↓ |