In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
April 25th, 2009 | 29 | No |
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) | 7.88 | 12.51 | -34.21 | 2 | 4 | 1 | 51 | 375.455 | 4 | ↓ |
Hi High (pH 8-9.5) | 7.88 | 12.13 | -14.22 | 1 | 4 | 0 | 50 | 374.447 | 4 | ↓ |