UCSF

ZINC54699259

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Substance Information

In ZINC since Heavy atoms Benign functionality
December 6th, 2010 21 No

Popular Name: 3-(5-cyclopentyl-2-methyl-1,2,4-triazol-3-yl)-4,5,6,7-tetrahydrobenzothiophen-2-amine 3-(5-cyclopentyl-2-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) 2.69 7.9 -8.8 1 4 0 55 302.447 2 ↓
Mid Mid (pH 6-8) 3.43 8.05 -8.58 2 4 0 57 302.447 2 ↓

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

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