UCSF

ZINC85210704

Substance Information

In ZINC since Heavy atoms Benign functionality
February 13th, 2013 19 Yes

CAS Numbers: 6078-17-7 , [478-61-5] , [6078-17-7]

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) 2.74 6.44 -4.62 2 2 0 29 250.345 0
Mid Mid (pH 6-8) 2.74 8.7 -35.45 3 2 1 30 251.353 0

Activity (Go SEA)

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

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