UCSF

ZINC42038883

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Substance Information

In ZINC since Heavy atoms Benign functionality
April 24th, 2010 17 No

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

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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) 1.35 6.32 -16.26 1 4 0 55 248.355 2 ↓
Mid Mid (pH 6-8) 2.26 6.23 -10.67 2 4 0 57 248.355 2 ↓

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

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