UCSF

ZINC61361932

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Substance Information

In ZINC since Heavy atoms Benign functionality
April 9th, 2011 21 Yes

Popular Name: (3S)-1,1-dioxo-N-[(4S)-4,5,6,7-tetrahydrobenzothiophen-4-yl]-2,3-dihydrobenzothiophen-3-amine (3S)-1,1-dioxo-N-[(4S)-4,5,6,7-t…

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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) 1.89 4.89 -15.06 1 3 0 46 319.451 2 ↓
Lo Low (pH 4.5-6) 1.89 5.77 -54.26 2 3 1 51 320.459 2 ↓

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Rings

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

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