UCSF

ZINC52538503

Substance Information

In ZINC since Heavy atoms Benign functionality
November 10th, 2010 26 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) 3.75 8.68 -35.88 1 5 -1 74 389.453 4
Mid Mid (pH 6-8) 2.83 10.29 -11.1 2 5 0 67 390.461 5
Mid Mid (pH 6-8) 2.87 9.41 -43.56 1 5 -1 68 389.453 5

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

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