UCSF

ZINC08582008

Substance Information

In ZINC since Heavy atoms Benign functionality
May 22nd, 2007 29 Yes

CAS Numbers: 338992-12-4 , 443913-73-3 , [443913-73-3]

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) 4.38 -1.42 -44.74 3 6 1 72 462.343 6

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

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