UCSF

ZINC54697072

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Substance Information

In ZINC since Heavy atoms Benign functionality
December 6th, 2010 15 No

Popular Name: 5-(5-ethyl-2-methyl-1,2,4-triazol-3-yl)-4-methyl-thiophen-2-amine 5-(5-ethyl-2-methyl-1,2,4-triazo…

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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) 1.31 4.81 -11.26 1 4 0 55 222.317 2 ↓
Mid Mid (pH 6-8) 2.00 4.94 -9.22 2 4 0 57 222.317 2 ↓

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

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