In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
February 9th, 2010 | 33 | 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) | 5.65 | 12.4 | -48.27 | 2 | 5 | 1 | 55 | 453.591 | 5 | ↓ |
Mid Mid (pH 6-8) | 5.65 | 10.3 | -13.44 | 1 | 5 | 0 | 54 | 452.583 | 5 | ↓ |