In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
February 9th, 2011 | 13 | 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) | 1.60 | 0.74 | -20.56 | 1 | 4 | 0 | 59 | 178.191 | 2 | ↓ |
Hi High (pH 8-9.5) | 2.05 | -1.15 | -52.44 | 0 | 4 | -1 | 62 | 177.183 | 2 | ↓ |
No pre-computed analogs available. Try a structural similarity search.