In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 19th, 2011 | 20 | 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) | 2.08 | 4.46 | -26.66 | 3 | 4 | 1 | 49 | 287.468 | 8 | ↓ |
Mid Mid (pH 6-8) | 2.08 | 4.59 | -90.18 | 4 | 4 | 2 | 51 | 288.476 | 8 | ↓ |