In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
September 15th, 2011 | 23 | 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) | 1.87 | 6.01 | -11.9 | 2 | 6 | 0 | 80 | 314.389 | 2 | ↓ |
Mid Mid (pH 6-8) | 1.87 | 6.42 | -38.75 | 3 | 6 | 1 | 81 | 315.397 | 2 | ↓ |