| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| September 27th, 2010 | 20 | Yes |
Popular Name: (3S)-3-[4-[2-(2-methylimidazol-1-yl)ethyl]piperazin-1-yl]pentan-1-amine (3S)-3-[4-[2-(2-methylimidazol-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) | -0.06 | 5.34 | -108.37 | 4 | 5 | 2 | 53 | 281.448 | 7 | ↓ |
| Hi High (pH 8-9.5) | -0.06 | 3.59 | -79.45 | 4 | 5 | 2 | 53 | 281.448 | 7 | ↓ |
| Mid Mid (pH 6-8) | -0.06 | 3.12 | -48.22 | 3 | 5 | 1 | 52 | 280.44 | 7 | ↓ |
| Mid Mid (pH 6-8) | -0.06 | 5.35 | -166.17 | 5 | 5 | 3 | 54 | 282.456 | 7 | ↓ |
| Mid Mid (pH 6-8) | -0.06 | 5.82 | -167.37 | 5 | 5 | 3 | 54 | 282.456 | 7 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
