In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
October 7th, 2010 | 19 | No |
Popular Name: 5-(4-hydroxybut-1-ynyl)-N-(1,3,4-thiadiazol-2-yl)pyridine-3-carboxamide 5-(4-hydroxybut-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) | 0.20 | 0.3 | -46.62 | 1 | 6 | -1 | 94 | 273.297 | 3 | ↓ |
Mid Mid (pH 6-8) | 0.13 | 1.98 | -17.52 | 2 | 6 | 0 | 88 | 274.305 | 3 | ↓ |
No pre-computed analogs available. Try a structural similarity search.