| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| March 11th, 2011 | 29 | No |
Popular Name: (4-methoxyphenyl)-methyl-(5-thioxo-1,2-dihydro-1,2,4-triazol-3-yl)BLAHone (4-methoxyphenyl)-methyl-(5-thio…
| 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) | 2.01 | 11.89 | -41.05 | 1 | 10 | -1 | 116 | 405.423 | 3 | ↓ |
| Mid Mid (pH 6-8) | 1.28 | 12.2 | -22.28 | 2 | 10 | 0 | 119 | 406.431 | 3 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
