UCSF

ZINC41704018

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
April 22nd, 2010 16 Yes

Popular Name: 2-tert-butyl-4-(4H-1,2,4-triazol-3-ylsulfanylmethyl)thiazole 2-tert-butyl-4-(4H-1,2,4-triazol…

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Physical Representations

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) 2.51 6.19 -7.34 1 4 0 54 254.384 4 ↓
Hi High (pH 8-9.5) 2.51 5.99 -42.81 0 4 -1 53 253.376 4 ↓

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Analogs ( Draw Identity 99% 90% 80% 70% )

No pre-computed analogs available. Try a structural similarity search.