UCSF

ZINC04228312

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Substance Information

In ZINC since Heavy atoms Benign functionality
November 15th, 2005 21 Yes

Popular Name: Vestitone Vestitone

Find On: PubMed — Wikipedia — Google

CAS Numbers: 158112-50-6 , 66211-83-4

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) 2.40 -2.39 -11.56 2 5 0 75 286.283 2 ↓

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID EP0792356A1; US5750399; US6054636; WO1996015239A2; WO1999014351A1; WO2000053771A1 IBM Patent Data
UniProt Database Links IFR_CICAR; IFR_MEDSA; IFR_PEA ChEBI

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