In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 15th, 2009 | 21 | 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) | 1.91 | 5.93 | -120.08 | 4 | 4 | 2 | 51 | 296.455 | 1 | ↓ |
Hi High (pH 8-9.5) | 1.91 | 5.69 | -30.48 | 3 | 4 | 1 | 49 | 295.447 | 1 | ↓ |