UCSF

ZINC21548000

Substance Information

In ZINC since Heavy atoms Benign functionality
December 6th, 2008 26 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) 4.53 6.35 -15.46 0 6 0 73 384.848 4
Lo Low (pH 4.5-6) 4.53 6.75 -40.4 1 6 1 75 385.856 4

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

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