UCSF

ZINC05821543

Substance Information

In ZINC since Heavy atoms Benign functionality
February 15th, 2006 16 No

CAS Numbers: 5391-18-4 , [31387-97-0] , [5391-18-4]

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) -0.59 -10.01 -6.03 4 6 0 99 236.264 5

Activity (Go SEA)

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