| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| July 17th, 2011 | 24 | Yes |
Popular Name: N-[[1,3-dimethyl-5-(4-methyl-1,4-diazepan-1-yl)pyrazol-4-yl]methyl]-3,3-dimethyl-butanamide N-[[1,3-dimethyl-5-(4-methyl-1,4…
| 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) | 1.78 | 8.79 | -40.45 | 2 | 6 | 1 | 55 | 336.504 | 5 | ↓ |
| Hi High (pH 8-9.5) | 1.78 | 6.77 | -7.23 | 1 | 6 | 0 | 53 | 335.496 | 5 | ↓ |
| Mid Mid (pH 6-8) | 1.78 | 8.92 | -85.91 | 3 | 6 | 2 | 56 | 337.512 | 5 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
