UCSF

ZINC71789431

Substance Information

In ZINC since Heavy atoms Benign functionality
February 2nd, 2012 32 Yes

CAS Numbers: 106685-40-9 , [106685-40-9]

Download: MOL2 SDF SMILES Flexibase

Annotations

None

Vendors

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) 7.54 16.36 -53.08 0 3 -1 57 423.532 4

Activity (Go SEA)

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

No pre-computed analogs available. Try a structural similarity search.