UCSF

ZINC03977879

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Substance Information

In ZINC since Heavy atoms Benign functionality
October 28th, 2005 28 No

Popular Name: CHENODIOL CHENODIOL

Find On: PubMed — Wikipedia — Google

CAS Numbers: 206986-87-0 , 474-25-9

Download: MOL2 SDF SMILES Flexibase

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) 4.25 7.58 -48.33 2 4 -1 81 391.572 4 ↓
Lo Low (pH 4.5-6) 4.25 5.6 -8.47 3 4 0 78 392.58 4 ↓

Vendor Notes

Note Type Comments Provided By
MP 165 - 167 Enamine Building Blocks
MP 165...167 Enamine Building Blocks
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks
Therapy anticholithogenic, antilipemic agent SMDC Pharmakon

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