| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| September 17th, 2008 | 14 | Yes |
Popular Name: (5E)-N,N-dimethyl-5-(4H-1,2,4-triazol-3-ylimino)-1,2,4-dithiazol-3-amine (5E)-N,N-dimethyl-5-(4H-1,2,4-tr…
| 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) | 1.88 | 8.14 | -25.6 | 2 | 6 | 1 | 72 | 229.314 | 2 | ↓ |
| Hi High (pH 8-9.5) | 1.88 | 7.91 | -11.61 | 1 | 6 | 0 | 70 | 228.306 | 2 | ↓ |
| Mid Mid (pH 6-8) | 1.88 | 8.56 | -91.71 | 3 | 6 | 2 | 73 | 230.322 | 2 | ↓ |
No pre-computed analogs available. Try a structural similarity search.