| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| December 7th, 2010 | 20 | Yes |
Popular Name: (2S)-3-methyl-2-(4-methylpiperazin-1-yl)-N-(pyrazin-2-ylmethyl)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) | 1.06 | 4.38 | -95.96 | 3 | 5 | 2 | 50 | 279.432 | 6 | ↓ |
| Hi High (pH 8-9.5) | 1.06 | 4.49 | -37.66 | 2 | 5 | 1 | 45 | 278.424 | 6 | ↓ |
| Hi High (pH 8-9.5) | 1.06 | 1.11 | -4.44 | 1 | 5 | 0 | 44 | 277.416 | 6 | ↓ |
| Hi High (pH 8-9.5) | 1.06 | 1.99 | -42.11 | 2 | 5 | 1 | 49 | 278.424 | 6 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
