UCSF

ZINC48630944

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Substance Information

In ZINC since Heavy atoms Benign functionality
September 17th, 2010 16 No

Popular Name: 3-(5-ethyl-1H-1,2,4-triazol-3-yl)-5,6-dihydro-4H-cyclopenta[b]thiophen-2-amine 3-(5-ethyl-1H-1,2,4-triazol-3-yl…

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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) 1.29 5.56 -11.12 2 4 0 65 234.328 2 ↓
Mid Mid (pH 6-8) 2.02 5.41 -9.14 3 4 0 68 234.328 2 ↓

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

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