UCSF

ZINC00580315

Substance Information

In ZINC since Heavy atoms Benign functionality
July 24th, 2004 29 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) 4.77 10.02 -12.16 2 6 0 82 388.423 4

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID EP0751129A1; EP0751129B1; US5753646 IBM Patent Data

Activity (Go SEA)

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