UCSF

ZINC70112904

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
November 4th, 2011 21 Yes

Popular Name: 1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-[[(1S,2R,4S)-2,4-dimethylcyclohexyl]amino]ethanone 1-(6,7-dihydro-4H-thieno[3,2-c]p…

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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) 2.87 8.66 -43.56 2 3 1 37 307.483 3 ↓
Hi High (pH 8-9.5) 2.87 7.62 -7.08 1 3 0 32 306.475 3 ↓

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

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