In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
February 5th, 2011 | 22 | Yes |
Popular Name: N-[1-(2-amino-2-oxo-ethyl)pyrazol-4-yl]-2-hydroxy-5-isopropyl-benzamide N-[1-(2-amino-2-oxo-ethyl)pyrazo…
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) | 1.91 | 1.68 | -25.12 | 4 | 7 | 0 | 110 | 302.334 | 5 | ↓ |
Hi High (pH 8-9.5) | 1.91 | 2.69 | -73.09 | 3 | 7 | -1 | 113 | 301.326 | 5 | ↓ |
No pre-computed analogs available. Try a structural similarity search.