| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| September 27th, 2010 | 18 | Yes |
Popular Name: N-cyclopentyl-N-[2-(2-methylimidazol-1-yl)ethyl]propane-1,3-diamine N-cyclopentyl-N-[2-(2-methylimid…
| 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) | 0.59 | 7.05 | -181.04 | 5 | 4 | 3 | 51 | 253.414 | 7 | ↓ |
| Hi High (pH 8-9.5) | 0.59 | 4.67 | -51.29 | 3 | 4 | 1 | 49 | 251.398 | 7 | ↓ |
| Mid Mid (pH 6-8) | 0.59 | 6.57 | -121.11 | 4 | 4 | 2 | 50 | 252.406 | 7 | ↓ |
| Mid Mid (pH 6-8) | 0.59 | 5.14 | -83.1 | 4 | 4 | 2 | 50 | 252.406 | 7 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
