| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 7th, 2010 | 21 | Yes |
Popular Name: 5-(3-aminoprop-1-ynyl)-N-(3-imidazol-1-ylpropyl)pyridine-3-carboxamide 5-(3-aminoprop-1-ynyl)-N-(3-imid…
| 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) | -1.17 | 5.22 | -92.48 | 5 | 6 | 2 | 89 | 285.351 | 5 | ↓ |
| Mid Mid (pH 6-8) | -1.17 | 4.81 | -43 | 4 | 6 | 1 | 87 | 284.343 | 5 | ↓ |
| Mid Mid (pH 6-8) | -1.17 | 4.7 | -57.84 | 4 | 6 | 1 | 87 | 284.343 | 5 | ↓ |
| Mid Mid (pH 6-8) | -1.17 | 4.3 | -14.95 | 3 | 6 | 0 | 86 | 283.335 | 5 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
