| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 27th, 2010 | 20 | Yes |
Popular Name: (1S)-1-(4-bromophenyl)-N'-methyl-N'-[(1-methylpyrazol-4-yl)methyl]propane-1,3-diamine (1S)-1-(4-bromophenyl)-N'-methyl…
| 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) | 0.31 | 5.02 | -55.4 | 3 | 4 | 1 | 49 | 338.273 | 6 | ↓ |
| Hi High (pH 8-9.5) | 0.31 | 4.71 | -6.82 | 2 | 4 | 0 | 47 | 337.265 | 6 | ↓ |
| Mid Mid (pH 6-8) | 0.31 | 7.04 | -42.49 | 3 | 4 | 1 | 48 | 338.273 | 6 | ↓ |
| Lo Low (pH 4.5-6) | 0.31 | 7.34 | -134.09 | 4 | 4 | 2 | 50 | 339.281 | 6 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
