UCSF

ZINC98088063

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Substance Information

In ZINC since Heavy atoms Benign functionality
August 13th, 2014 32 No

Popular Name: (3R,4R,5S)-Ethyl4-(N-(tert-butyl)acetamido)-5-(diallylamino)-3-(pentan-3-yloxy)cyclohex-1-enecarboxylatehydrochloride (3R,4R,5S)-Ethyl4-(N-(tert-butyl…

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CAS Number: 651324-08-2

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Vendors

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) 4.72 11.36 -8.22 0 6 0 59 448.648 14 ↓
Mid Mid (pH 6-8) 4.72 13.67 -43.21 1 6 1 60 449.656 14 ↓

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

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