| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| September 27th, 2010 | 20 | Yes |
Popular Name: N-cycloheptyl-N-(3-imidazol-1-ylpropyl)propane-1,3-diamine N-cycloheptyl-N-(3-imidazol-1-yl…
| 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) | 1.78 | 9.17 | -178.88 | 5 | 4 | 3 | 51 | 281.468 | 8 | ↓ |
| Hi High (pH 8-9.5) | 1.78 | 8.47 | -45.18 | 3 | 4 | 1 | 48 | 279.452 | 8 | ↓ |
| Hi High (pH 8-9.5) | 1.78 | 6.72 | -48.59 | 3 | 4 | 1 | 49 | 279.452 | 8 | ↓ |
| Mid Mid (pH 6-8) | 1.78 | 8.84 | -119.17 | 4 | 4 | 2 | 50 | 280.46 | 8 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
