In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
October 3rd, 2010 | 13 | No |
Popular Name: 5-methyl-4-(thiazol-2-ylmethyl)-1,2,4-triazole-3-thiol 5-methyl-4-(thiazol-2-ylmethyl)-…
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) | -0.21 | 4.96 | -16.98 | 1 | 4 | 0 | 47 | 212.303 | 2 | ↓ |
Mid Mid (pH 6-8) | 0.52 | 5.11 | -52.24 | 0 | 4 | -1 | 44 | 211.295 | 2 | ↓ |
No pre-computed analogs available. Try a structural similarity search.