UCSF

ZINC54700224

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Substance Information

In ZINC since Heavy atoms Benign functionality
December 6th, 2010 19 No

Popular Name: 3-[5-(2-thienyl)-1H-1,2,4-triazol-3-yl]-5,6-dihydro-4H-cyclopenta[b]thiophen-2-amine 3-[5-(2-thienyl)-1H-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) 2.52 6.99 -12.31 2 4 0 65 288.401 2 ↓
Mid Mid (pH 6-8) 2.52 6.82 -20.43 1 4 0 64 287.393 2 ↓
Lo Low (pH 4.5-6) 3.26 6.84 -9.39 3 4 0 68 288.401 2 ↓

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

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