| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 23rd, 2009 | 20 | Yes |
Popular Name: 2-[3-aminopropyl(cyclopentyl)amino]-1-(4-methylpiperazin-1-yl)ethanone 2-[3-aminopropyl(cyclopentyl)ami…
| 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) | 0.06 | 3.87 | -96.76 | 4 | 5 | 2 | 56 | 284.448 | 6 | ↓ |
| Hi High (pH 8-9.5) | 0.06 | 2.99 | -37.58 | 3 | 5 | 1 | 54 | 283.44 | 6 | ↓ |
| Mid Mid (pH 6-8) | 0.06 | 1.52 | -52.5 | 3 | 5 | 1 | 54 | 283.44 | 6 | ↓ |
| Mid Mid (pH 6-8) | 0.06 | 5.72 | -179.27 | 5 | 5 | 3 | 57 | 285.456 | 6 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
