| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| January 28th, 2011 | 23 | No |
Popular Name: 3-[[5-(3-bromoanilino)-2-thioxo-1,3,4-thiadiazol-3-yl]methyl-isopropyl-amino]propanenitrile 3-[[5-(3-bromoanilino)-2-thioxo-…
| 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) | 3.44 | 8.49 | -12.18 | 1 | 5 | 0 | 57 | 412.382 | 7 | ↓ |
| Lo Low (pH 4.5-6) | 3.44 | 10.48 | -49.01 | 2 | 5 | 1 | 58 | 413.39 | 7 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
