UCSF

ZINC06484014

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Substance Information

In ZINC since Heavy atoms Benign functionality
March 31st, 2006 21 Yes

Popular Name: Xenognosin B Xenognosin B

Find On: PubMed — Wikipedia — Google

CAS Number: 1890-99-9

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) 2.80 1.99 -18.57 2 5 0 80 284.267 2 ↓
Hi High (pH 8-9.5) 2.80 2.79 -48.29 1 5 -1 83 283.259 2 ↓

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID EP0792356A1; US5750399; WO1996015239A2; WO1998020113A1 IBM Patent Data
UniProt Database Links IFR_CICAR; IFR_MEDSA; IFR_PEA ChEBI

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