In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
October 30th, 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) | 1.04 | 14.2 | -64.71 | 2 | 8 | 1 | 85 | 485.58 | 8 | ↓ |
Mid Mid (pH 6-8) | 1.04 | 11.99 | -22.25 | 1 | 8 | 0 | 84 | 484.572 | 8 | ↓ |