UCSF

ZINC08829484

Substance Information

In ZINC since Heavy atoms Benign functionality
July 29th, 2007 34 No

CAS Numbers: 4547-24-4 , [4547-24-4]

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) 5.87 -0.58 -55.88 2 4 -1 80 471.702 1

Activity (Go SEA)

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