UCSF

ZINC08551176

Substance Information

In ZINC since Heavy atoms Benign functionality
August 1st, 2006 11 Yes

CAS Numbers: 526-91-0 , 5346-83-8 , 608-53-7

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) -2.79 -8.87 -47.88 4 6 -1 121 165.121 4

Vendor Notes

Note Type Comments Provided By
UniProt Database Links ARADA_AZOBR; ARALA_AZOBR ChEBI

Activity (Go SEA)

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