| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 7th, 2010 | 21 | Yes |
Popular Name: 5-(3-aminoprop-1-ynyl)-N-cycloheptyl-N-methyl-pyridine-3-carboxamide 5-(3-aminoprop-1-ynyl)-N-cyclohe…
| 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) | 1.06 | 6.06 | -58.15 | 3 | 4 | 1 | 61 | 286.399 | 2 | ↓ |
| Mid Mid (pH 6-8) | 1.06 | 5.65 | -8.8 | 2 | 4 | 0 | 59 | 285.391 | 2 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
