| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 16th, 2009 | 20 | Yes |
Popular Name: (1R)-N'-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-N,N-dimethyl-1-phenyl-ethane-1,2-diamine (1R)-N'-[(3,5-dimethyl-1H-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) | 1.86 | 6.3 | -42.34 | 3 | 4 | 1 | 45 | 273.404 | 6 | ↓ |
| Hi High (pH 8-9.5) | 1.86 | 3.97 | -5.98 | 2 | 4 | 0 | 44 | 272.396 | 6 | ↓ |
| Mid Mid (pH 6-8) | 1.86 | 5.33 | -44.24 | 3 | 4 | 1 | 49 | 273.404 | 6 | ↓ |
| Lo Low (pH 4.5-6) | 1.86 | 7.58 | -122.57 | 4 | 4 | 2 | 50 | 274.412 | 6 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
