UCSF

ZINC04097149

Substance Information

In ZINC since Heavy atoms Benign functionality
November 7th, 2005 8 Yes

CAS Numbers: 95-43-2 , 95-44-3 , [95-44-3]

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) -1.79 -8.14 -7.57 3 4 0 69 120.104 0

Activity (Go SEA)

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