| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| September 21st, 2010 | 19 | Yes |
Popular Name: (1S)-N'-methyl-N'-[(1-methylpyrazol-4-yl)methyl]-1-(p-tolyl)ethane-1,2-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) | -0.32 | 4.98 | -48.3 | 3 | 4 | 1 | 49 | 259.377 | 5 | ↓ |
| Hi High (pH 8-9.5) | -0.32 | 4.16 | -6.02 | 2 | 4 | 0 | 47 | 258.369 | 5 | ↓ |
| Mid Mid (pH 6-8) | -0.32 | 6.5 | -41.93 | 3 | 4 | 1 | 48 | 259.377 | 5 | ↓ |
| Lo Low (pH 4.5-6) | -0.32 | 6.85 | -137.5 | 4 | 4 | 2 | 50 | 260.385 | 5 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
