| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| July 5th, 2008 | 25 | No |
Popular Name: 4-[(3-tert-butyl-5-thioxo-2H-1,2,4-triazol-1-yl)methyl]-N,N-diethyl-piperazine-1-sulfonamide 4-[(3-tert-butyl-5-thioxo-2H-1,2…
| 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) | 1.30 | 7.95 | -48.31 | 2 | 8 | 1 | 79 | 391.587 | 7 | ↓ |
| Mid Mid (pH 6-8) | 1.30 | 5.64 | -17.44 | 1 | 8 | 0 | 77 | 390.579 | 7 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
