| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| December 19th, 2009 | 13 | Yes |
Popular Name: 1-(thiadiazol-4-yl)-N-(4H-1,2,4-triazol-3-ylmethyl)methanamine 1-(thiadiazol-4-yl)-N-(4H-1,2,4-…
| 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) | -0.71 | 1.55 | -44.99 | 3 | 6 | 1 | 84 | 197.247 | 4 | ↓ |
| Mid Mid (pH 6-8) | -0.71 | 0.18 | -13.31 | 2 | 6 | 0 | 79 | 196.239 | 4 | ↓ |
| Lo Low (pH 4.5-6) | -0.71 | 1.39 | -40.38 | 2 | 6 | 0 | 82 | 196.239 | 4 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
