| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 1st, 2011 | 24 | Yes |
Popular Name: 3-(4-isopentylpiperazin-1-yl)-N-(2-methylsulfanylphenyl)propanamide 3-(4-isopentylpiperazin-1-yl)-N-…
| 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) | 3.35 | 8.77 | -39.97 | 2 | 4 | 1 | 37 | 350.552 | 8 | ↓ |
| Hi High (pH 8-9.5) | 3.35 | 8.76 | -40.42 | 2 | 4 | 1 | 37 | 350.552 | 8 | ↓ |
| Hi High (pH 8-9.5) | 3.35 | 6.49 | -7.36 | 1 | 4 | 0 | 36 | 349.544 | 8 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
