In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 19th, 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) | 1.95 | 5.92 | -24.96 | 1 | 9 | 0 | 91 | 435.55 | 10 | ↓ |
Mid Mid (pH 6-8) | 1.95 | 8.26 | -56.54 | 2 | 9 | 1 | 92 | 436.558 | 10 | ↓ |