In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
April 20th, 2010 | 24 | 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) | 2.82 | 9.4 | -11.68 | 0 | 5 | 0 | 55 | 335.436 | 5 | ↓ |
Mid Mid (pH 6-8) | 2.82 | 9.86 | -41.77 | 1 | 5 | 1 | 56 | 336.444 | 5 | ↓ |