In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
April 13th, 2010 | 11 | 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) | 0.25 | 1.59 | -45.81 | 3 | 3 | 1 | 48 | 157.237 | 2 | ↓ |
Hi High (pH 8-9.5) | 0.25 | 1.74 | -6.88 | 2 | 3 | 0 | 46 | 156.229 | 2 | ↓ |