| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| April 7th, 2010 | 20 | Yes |
Popular Name: (2S)-3-methyl-2-(4-methylpiperazin-1-yl)-N-[(1-methylpyrazol-4-yl)methyl]butan-1-amine (2S)-3-methyl-2-(4-methylpiperaz…
| 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) | 0.90 | 6.26 | -104.18 | 3 | 5 | 2 | 42 | 281.448 | 6 | ↓ |
| Hi High (pH 8-9.5) | 0.90 | 3.62 | -5.04 | 1 | 5 | 0 | 36 | 279.432 | 6 | ↓ |
| Mid Mid (pH 6-8) | 0.90 | 3.77 | -33.44 | 2 | 5 | 1 | 38 | 280.44 | 6 | ↓ |
| Mid Mid (pH 6-8) | 0.90 | 5.14 | -122.13 | 3 | 5 | 2 | 42 | 281.448 | 6 | ↓ |
| Mid Mid (pH 6-8) | 0.90 | 3.48 | -43.23 | 2 | 5 | 1 | 41 | 280.44 | 6 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
