In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
September 3rd, 2008 | 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) | 0.61 | -1.36 | -25.88 | 1 | 10 | 0 | 122 | 461.562 | 7 | ↓ |
Mid Mid (pH 6-8) | 0.61 | 0.78 | -53.37 | 2 | 10 | 1 | 124 | 462.57 | 7 | ↓ |