| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 7th, 2010 | 21 | No |
Popular Name: 5-(3-aminoprop-1-ynyl)-N-[(3S)-1,1-dioxothiolan-3-yl]-N-methyl-pyridine-3-carboxamide 5-(3-aminoprop-1-ynyl)-N-[(3S)-1…
| 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) | -1.83 | 0.84 | -68.01 | 3 | 6 | 1 | 95 | 308.383 | 2 | ↓ |
| Mid Mid (pH 6-8) | -1.83 | 0.43 | -17.77 | 2 | 6 | 0 | 93 | 307.375 | 2 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
