UCSF

ZINC08660422

Substance Information

In ZINC since Heavy atoms Benign functionality
July 11th, 2007 25 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) 1.43 -11.37 -14.4 4 9 0 125 349.391 4

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID EP0607367A1; EP0609375A1; EP0675896A1; EP0689405A1; EP0719275A1; EP0755255A1; US5430027; US5432164; US5484774; US5578582; US5589467; US5672588; US5683989; WO1986001539A1; WO1991010907A1; WO1993008206A1; WO1994002497A1; WO1994014832A1; WO1994019349A1; WO19 IBM Patent Data

Activity (Go SEA)

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