In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
August 27th, 2007 | 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) | 3.41 | 10.6 | -20.21 | 0 | 8 | 0 | 84 | 490.585 | 6 | ↓ |
Mid Mid (pH 6-8) | 3.41 | 11.04 | -45.53 | 1 | 8 | 1 | 85 | 491.593 | 6 | ↓ |