UCSF

ZINC71789419

Substance Information

In ZINC since Heavy atoms Benign functionality
February 2nd, 2012 22 Yes

CAS Numbers: 100-71-0 , 1684-14-6 , [100-71-0] , [1684-14-6]

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) 5.99 10.69 -6.51 0 2 0 26 294.442 2

Activity (Go SEA)

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

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