UCSF

ZINC61298805

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
April 8th, 2011 21 Yes

Popular Name: N-(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)-2-(ethylamino)-2-methyl-propanamide N-(3-cyano-5,6,7,8-tetrahydro-4H…

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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) 3.23 7.2 -41.41 3 4 1 69 306.455 4 ↓
Hi High (pH 8-9.5) 3.23 5.98 -5.79 2 4 0 65 305.447 4 ↓

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

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