| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 25th, 2011 | 18 | Yes |
Popular Name: N-[(S)-cyclopentyl-(1-propylimidazol-2-yl)methyl]propan-1-amine N-[(S)-cyclopentyl-(1-propylimid…
| 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) | 3.38 | 9.08 | -101.17 | 3 | 3 | 2 | 36 | 251.418 | 7 | ↓ |
| Hi High (pH 8-9.5) | 3.38 | 8.76 | -36.97 | 2 | 3 | 1 | 34 | 250.41 | 7 | ↓ |
| Hi High (pH 8-9.5) | 3.38 | 7.99 | -5.59 | 1 | 3 | 0 | 30 | 249.402 | 7 | ↓ |
| Mid Mid (pH 6-8) | 3.38 | 8.36 | -24.81 | 2 | 3 | 1 | 31 | 250.41 | 7 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
