UCSF

ZINC12503514

Substance Information

In ZINC since Heavy atoms Benign functionality
May 16th, 2008 5 Yes

CAS Numbers: 1467-16-9 , 2593-15-9 , 288-32-4

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) -0.11 0.32 -6.36 0 2 0 25 68.079 0

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

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