| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 27th, 2010 | 20 | Yes |
Popular Name: (1S)-N'-methyl-N'-[(1-methylpyrazol-4-yl)methyl]-1-(p-tolyl)propane-1,3-diamine (1S)-N'-methyl-N'-[(1-methylpyra…
| 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) | -0.05 | 5.06 | -50.45 | 3 | 4 | 1 | 49 | 273.404 | 6 | ↓ |
| Hi High (pH 8-9.5) | -0.05 | 4.75 | -6.54 | 2 | 4 | 0 | 47 | 272.396 | 6 | ↓ |
| Mid Mid (pH 6-8) | -0.05 | 7.04 | -43.34 | 3 | 4 | 1 | 48 | 273.404 | 6 | ↓ |
| Lo Low (pH 4.5-6) | -0.05 | 7.39 | -126.98 | 4 | 4 | 2 | 50 | 274.412 | 6 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
