UCSF

ZINC05973245

Substance Information

In ZINC since Heavy atoms Benign functionality
February 21st, 2006 25 Yes

CAS Numbers: 154361-50-9 , [154361-50-9]

Other Names:

MFCD00930626

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) 1.88 -5.91 -21.79 3 9 0 122 359.354 7

Activity (Go SEA)

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