UCSF

ZINC21812152

Substance Information

In ZINC since Heavy atoms Benign functionality
December 9th, 2008 15 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) 4.61 8.8 -32.99 2 1 1 17 214.417 8

Vendor Notes

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

Activity (Go SEA)

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