UCSF

ZINC01608121

Substance Information

In ZINC since Heavy atoms Benign functionality
October 7th, 2004 15 No

CAS Number: 76421-73-3

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) 1.52 1.5 -22.74 0 4 0 43 226.663 1

Vendor Notes

Note Type Comments Provided By
UniProt Database Links ABC2_SCHPO; ABC4_SCHPO ChEBI
PUBCHEM_PATENT_ID EP0571444B1; EP0603266B1; EP0643698B1; EP1004302A2; EP1047397A1; US5320727; US5362628; US5366885; US5576424; US5817520; US5843785; US6136605; US6149925; US6166290; WO1992014747A1; WO1993004192A1; WO1997033473A1; WO1998004916A1; WO1998021938A1; WO199802797 IBM Patent Data

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

No pre-computed analogs available. Try a structural similarity search.