UCSF

ZINC66450210

Substance Information

In ZINC since Heavy atoms Benign functionality
August 25th, 2011 28 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

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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) 3.65 12.2 -56.59 1 6 1 52 395.474 5
Hi High (pH 8-9.5) 3.65 9.92 -10.64 0 6 0 51 394.466 5
Lo Low (pH 4.5-6) 3.65 12.67 -131.95 2 6 2 53 396.482 5

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

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