| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| July 19th, 2011 | 16 | Yes |
Popular Name: 1-({3-nitro-5-methyl-1H-pyrazol-1-yl}acetyl)-1,2,3,4-tetrahydroquinoline 1-({3-nitro-5-methyl-1H-pyrazol-…
| 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 | 7.99 | -48.3 | 1 | 5 | 1 | 44 | 225.316 | 5 | ↓ |
| Hi High (pH 8-9.5) | 0.25 | 5.67 | -11.74 | 0 | 5 | 0 | 43 | 224.308 | 5 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
