In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
January 27th, 2010 | 31 | 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) | 4.93 | 10.48 | -15.66 | 2 | 5 | 0 | 69 | 433.87 | 4 | ↓ |
Mid Mid (pH 6-8) | 4.93 | 11.25 | -54.95 | 1 | 5 | -1 | 72 | 432.862 | 4 | ↓ |