In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
December 13th, 2005 | 25 | 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) | 4.86 | 13.52 | -108.72 | 3 | 2 | 2 | 21 | 338.539 | 8 | ↓ |
Mid Mid (pH 6-8) | 4.86 | 12.36 | -34.06 | 2 | 2 | 1 | 16 | 337.531 | 8 | ↓ |