In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
March 19th, 2010 | 21 | 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) | 3.61 | 4.68 | -13.68 | 3 | 4 | 0 | 68 | 297.745 | 3 | ↓ |
Mid Mid (pH 6-8) | 3.61 | 5.07 | -37.83 | 4 | 4 | 1 | 69 | 298.753 | 3 | ↓ |