In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
April 11th, 2009 | 33 | No |
None
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) | 2.26 | 3.18 | -18.72 | 4 | 9 | 0 | 134 | 464.455 | 3 | ↓ |
Hi High (pH 8-9.5) | 2.26 | 3.71 | -53.97 | 4 | 9 | -1 | 134 | 463.447 | 3 | ↓ |