| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 19th, 2011 | 17 | No |
Popular Name: 4-[(3S)-1,1-dioxothian-3-yl]-5-isopropyl-1,2,4-triazole-3-thiol 4-[(3S)-1,1-dioxothian-3-yl]-5-i…
| 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) | 0.38 | 4.2 | -15.78 | 1 | 5 | 0 | 68 | 275.399 | 2 | ↓ |
| Mid Mid (pH 6-8) | 1.11 | 4.16 | -48.1 | 0 | 5 | -1 | 65 | 274.391 | 2 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
