| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 14th, 2008 | 21 | Yes |
Popular Name: 2-methyl-2-(4-methylpiperazin-1-yl)-N-[(4-methylsulfanylphenyl)methyl]propan-1-amine 2-methyl-2-(4-methylpiperazin-1-…
| 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) | 2.66 | 6.88 | -30.97 | 2 | 3 | 1 | 20 | 308.515 | 6 | ↓ |
| Hi High (pH 8-9.5) | 2.66 | 6.29 | -43.44 | 2 | 3 | 1 | 23 | 308.515 | 6 | ↓ |
| Lo Low (pH 4.5-6) | 2.66 | 8.14 | -123.8 | 3 | 3 | 2 | 24 | 309.523 | 6 | ↓ |
| Lo Low (pH 4.5-6) | 2.66 | 8.43 | -99.37 | 3 | 3 | 2 | 24 | 309.523 | 6 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
