UCSF

ZINC04096248

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Substance Information

In ZINC since Heavy atoms Benign functionality
November 7th, 2005 25 No

Popular Name: Neochlorogenic acid Neochlorogenic acid

Find On: PubMed — Wikipedia — Google

CAS Numbers: 327-97-9 , 906-33-2 , [906-33-2]

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) -0.45 -1.65 -50.12 5 9 -1 168 353.303 5 ↓

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