UCSF

ZINC42553080

Substance Information

In ZINC since Heavy atoms Benign functionality
April 30th, 2010 13 Yes

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) 4.01 7.2 -31.28 2 1 1 17 186.363 6

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID EP0519423A2; EP0519423A3; EP0519423B1; EP0562832A1; EP0564237B1; EP0633296A1; EP0633296B1; EP0818512A1; EP0945445A1; US5380842; US5482804; US5695911; US5773172; US6051360; US6132640 IBM Patent Data

Activity (Go SEA)

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