In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
March 7th, 2010 | 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) | 1.42 | 6.27 | -13.65 | 0 | 9 | 0 | 82 | 435.55 | 10 | ↓ |
Mid Mid (pH 6-8) | 1.42 | 8.62 | -50.71 | 1 | 9 | 1 | 83 | 436.558 | 10 | ↓ |