UCSF

ZINC04556536

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Substance Information

In ZINC since Heavy atoms Benign functionality
December 10th, 2005 20 Yes

Popular Name: ISOSTEARICACID ISOSTEARICACID

Find On: PubMed — Wikipedia — Google

CAS Numbers: 2724-58-5 , 94247-14-0 , [30399-84-9]

Download: MOL2 SDF SMILES Flexibase

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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) 7.54 14.27 -43.17 0 2 -1 40 283.476 15 ↓
Lo Low (pH 4.5-6) 7.54 12.3 -4.88 1 2 0 37 284.484 15 ↓

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