UCSF

ZINC39644102

Substance Information

In ZINC since Heavy atoms Benign functionality
March 2nd, 2010 24 Yes

CAS Numbers: 2448-45-5 , [2448-45-5]

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) 5.37 9.96 -10.69 1 5 0 65 327.38 9

Activity (Go SEA)

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