UCSF

ZINC69901538

Substance Information

In ZINC since Heavy atoms Benign functionality
October 31st, 2011 24 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) 4.02 7.61 -58.33 2 5 1 67 370.495 4
Hi High (pH 8-9.5) 3.09 5.05 -45.16 0 5 -1 64 368.479 5
Mid Mid (pH 6-8) 3.09 7.33 -47.57 1 5 0 66 369.487 5

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

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