UCSF

ZINC04046820

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Substance Information

In ZINC since Heavy atoms Benign functionality
November 3rd, 2005 23 Yes

Popular Name: Bergenin Bergenin

Find On: PubMed — Wikipedia — Google

CAS Numbers: 108032-11-7 , 477-90-7 , [477-90-7]

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) -0.90 -6.69 -14.16 5 9 0 146 328.273 2 ↓

Vendor Notes

Note Type Comments Provided By
MP 237-240 °C(lit.) Indofine
PUBCHEM_PATENT_ID EP0665009A1; EP0665009B1; EP0871620A1; EP0988858A1; US5811547; US5916919; US6136961; WO1997010233A1 IBM Patent Data
Target Others Selleck Chemicals

Activity (Go SEA)

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