| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| September 5th, 2011 | 23 | Yes |
Popular Name: 3-[2-ethylbutyl-[[5-(4-pyridyl)pyrazol-1-yl]methyl]amino]propanenitrile 3-[2-ethylbutyl-[[5-(4-pyridyl)p…
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| 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) | 2.37 | 8.18 | -10.99 | 0 | 5 | 0 | 58 | 311.433 | 9 | ↓ |
| Lo Low (pH 4.5-6) | 2.37 | 10.17 | -51.92 | 1 | 5 | 1 | 59 | 312.441 | 9 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
