In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
April 1st, 2009 | 25 | Yes |
None
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) | 2.37 | 7.12 | -6.51 | 0 | 5 | 0 | 48 | 347.455 | 7 | ↓ |
Mid Mid (pH 6-8) | 2.37 | 9.45 | -42.93 | 1 | 5 | 1 | 49 | 348.463 | 7 | ↓ |