In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
April 22nd, 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) | -0.68 | 4.3 | -31.7 | 2 | 3 | 0 | 57 | 157.213 | 5 | ↓ |
Hi High (pH 8-9.5) | -0.68 | 2.98 | -41.27 | 1 | 3 | -1 | 52 | 156.205 | 5 | ↓ |