UCSF

ZINC04722966

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
January 1st, 2006 31 No

Popular Name: FRIEDELIN FRIEDELIN

Find On: PubMed — Wikipedia — Google

CAS Number: 559-74-0

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) 7.85 4.23 -4.24 0 1 0 17 426.729 0 ↓

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID EP0717983A1; EP0776666A2; EP0776666A3; EP1033916A1; US5466452; US5529769; US5972401; WO1994009026A1; WO1995005741A1; WO1999027794A1 IBM Patent Data

Activity (Go SEA)

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

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