In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 19th, 2008 | 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) | 4.06 | 8.58 | -38.92 | 2 | 2 | 1 | 16 | 273.444 | 4 | ↓ |
Mid Mid (pH 6-8) | 4.06 | 9.81 | -112.45 | 3 | 2 | 2 | 21 | 274.452 | 4 | ↓ |