UCSF

ZINC25558261

Substance Information

In ZINC since Heavy atoms Benign functionality
January 30th, 2009 34 No

CAS Number: [52677-44-8]

Other Names:

MFCD00230791

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) -1.10 -3.54 -101.54 2 12 -2 197 502.486 5
Ref Reference (pH 7) -1.10 -2.32 -97.26 2 12 -2 197 502.486 5

Activity (Go SEA)

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