UCSF

ZINC41584821

Substance Information

In ZINC since Heavy atoms Benign functionality
April 21st, 2010 38 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

None

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) 4.13 12.85 -63.39 2 8 1 95 515.586 6
Hi High (pH 8-9.5) 4.13 13.62 -58.54 1 8 0 98 514.578 6
Hi High (pH 8-9.5) 4.13 10.73 -24.18 1 8 0 94 514.578 6

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

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