UCSF

ZINC62039399

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Substance Information

In ZINC since Heavy atoms Benign functionality
April 24th, 2011 29 Yes

Popular Name: (3S)-N-[(6S)-6-tert-butyl-3-carbamoyl-4,5,6,7-tetrahydrobenzothiophen-2-yl]-1-(2-cyanoethyl)piperidi (3S)-N-[(6S)-6-tert-butyl-3-carb…

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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) 2.88 8.05 -60.12 4 6 1 100 417.599 6 ↓
Mid Mid (pH 6-8) 2.88 5.81 -14.97 3 6 0 99 416.591 6 ↓

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

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