UCSF

ZINC04098238

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Substance Information

In ZINC since Heavy atoms Benign functionality
November 7th, 2005 20 No

Popular Name: butin butin

Find On: PubMed — Wikipedia — Google

CAS Number: 492-14-8

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) 1.71 0.27 -10.79 3 5 0 87 272.256 1 ↓

Vendor Notes

Note Type Comments Provided By
UniProt Database Links DFRA_MALDO; DFRA_PYRCO ChEBI
PUBCHEM_PATENT_ID EP0120395A1; EP0210137A2; EP0210137B1; EP0212284A2; EP0212284B1; EP0217032A2; EP0217032B1; EP0234963A2; EP0264132A2; EP0272682A2; EP0296533A2; EP0309915A1; EP0324343A2; EP0353681A1; EP0353681B1; EP0397848B1; EP0400111B1; EP0420256A2; EP0420256B1; EP042131 IBM Patent Data
Patent Database Links WO2007130777 ChEBI

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