| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 7th, 2010 | 21 | Yes |
Popular Name: 5-(3-aminoprop-1-ynyl)-N-methyl-N-(2-pyridylmethyl)pyridine-3-carboxamide 5-(3-aminoprop-1-ynyl)-N-methyl-…
| 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) | -1.12 | 4.3 | -57.43 | 3 | 5 | 1 | 74 | 281.339 | 3 | ↓ |
| Mid Mid (pH 6-8) | -1.12 | 3.89 | -9.14 | 2 | 5 | 0 | 72 | 280.331 | 3 | ↓ |
| Lo Low (pH 4.5-6) | -1.12 | 4.81 | -92.75 | 4 | 5 | 2 | 75 | 282.347 | 3 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
