UCSF

ZINC48630943

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Substance Information

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

Popular Name: 3-(5-ethyl-1H-1,2,4-triazol-3-yl)-4,5,6,7-tetrahydrobenzothiophen-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) 1.79 6.38 -10.67 2 4 0 65 248.355 2 ↓
Mid Mid (pH 6-8) 2.54 6.16 -8.44 3 4 0 68 248.355 2 ↓

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

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