UCSF

ZINC41568331

Substance Information

In ZINC since Heavy atoms Benign functionality
April 20th, 2010 26 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) 4.41 9.19 -57.71 2 5 1 67 386.522 4
Hi High (pH 8-9.5) 3.48 6.4 -51.99 0 5 -1 64 384.506 5
Mid Mid (pH 6-8) 3.48 8.67 -61.77 1 5 0 66 385.514 5

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

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