| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 17th, 2008 | 30 | Yes |
Popular Name: N-[3-(4-methylpiperazin-1-yl)propyl]-3-[[2-(1-oxo-2-isoquinolyl)acetyl]amino]propanamide N-[3-(4-methylpiperazin-1-yl)pro…
| 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) | 0.14 | 5.91 | -65.23 | 3 | 8 | 1 | 88 | 414.53 | 9 | ↓ |
| Hi High (pH 8-9.5) | 0.14 | 3.44 | -32.21 | 2 | 8 | 0 | 87 | 413.522 | 9 | ↓ |
| Mid Mid (pH 6-8) | 0.14 | 5.77 | -68.26 | 3 | 8 | 1 | 88 | 414.53 | 9 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
![3-[[2-(1-keto-2-isoquinolyl)acetyl]amino]-N-(3-piperazinopropyl)propionamide](http://zinc12.docking.org/img/rings/26408.gif)