| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| September 27th, 2010 | 19 | Yes |
Popular Name: 4-[4-[2-(2-methylimidazol-1-yl)ethyl]piperazin-1-yl]butan-1-amine 4-[4-[2-(2-methylimidazol-1-yl)e…
| 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) | -0.65 | 4.85 | -100.78 | 4 | 5 | 2 | 53 | 267.421 | 7 | ↓ |
| Hi High (pH 8-9.5) | -0.65 | 3.05 | -77.42 | 4 | 5 | 2 | 53 | 267.421 | 7 | ↓ |
| Hi High (pH 8-9.5) | -0.65 | 4.84 | -107 | 4 | 5 | 2 | 53 | 267.421 | 7 | ↓ |
| Mid Mid (pH 6-8) | -0.65 | 5.32 | -150.42 | 5 | 5 | 3 | 54 | 268.429 | 7 | ↓ |
| Mid Mid (pH 6-8) | -0.65 | 5.32 | -157.29 | 5 | 5 | 3 | 54 | 268.429 | 7 | ↓ |
| Mid Mid (pH 6-8) | -0.65 | 2.57 | -47.81 | 3 | 5 | 1 | 52 | 266.413 | 7 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
