UCSF

ZINC62993087

Substance Information

In ZINC since Heavy atoms Benign functionality
May 21st, 2011 31 No

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) 4.06 8.81 -51.01 1 6 0 56 423.533 7
Mid Mid (pH 6-8) 4.06 8.74 -10.72 0 6 0 55 422.525 7
Lo Low (pH 4.5-6) 4.06 11.68 -107.55 2 6 0 58 424.541 7

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

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