| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 7th, 2010 | 18 | No |
Popular Name: 5-(3-aminoprop-1-ynyl)-N-(1,3,4-thiadiazol-2-yl)pyridine-3-carboxamide 5-(3-aminoprop-1-ynyl)-N-(1,3,4-…
| 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) | -0.64 | 0.24 | -79.53 | 3 | 6 | 0 | 102 | 259.294 | 2 | ↓ |
| Mid Mid (pH 6-8) | -0.64 | -0.16 | -45.73 | 2 | 6 | -1 | 100 | 258.286 | 2 | ↓ |
| Mid Mid (pH 6-8) | -0.71 | 1.51 | -16.97 | 3 | 6 | 0 | 94 | 259.294 | 2 | ↓ |
| Lo Low (pH 4.5-6) | -0.71 | 1.92 | -60.13 | 4 | 6 | 1 | 95 | 260.302 | 2 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
