In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
March 23rd, 2008 | 19 | No |
Popular Name: 4-allyl-5-(1,3-benzothiazol-2-ylmethyl)-2H-1,2,4-triazole-3-thione 4-allyl-5-(1,3-benzothiazol-2-yl…
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) | 3.05 | 8.32 | -53.31 | 0 | 4 | -1 | 44 | 287.393 | 4 | ↓ |
No pre-computed analogs available. Try a structural similarity search.