UCSF

ZINC13415390

Substance Information

In ZINC since Heavy atoms Benign functionality
June 19th, 2008 33 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

Vendors

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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) 5.66 13.52 -50.24 1 6 -1 91 474.587 7
Lo Low (pH 4.5-6) 5.66 13.97 -55.4 2 6 0 92 475.595 7

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

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