UCSF

ZINC13262086

Substance Information

In ZINC since Heavy atoms Benign functionality
June 13th, 2008 24 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

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) 2.67 3.72 -59.56 1 7 -1 106 370.407 3
Hi High (pH 8-9.5) 1.74 4.52 -113.45 1 7 -1 106 370.407 4
Mid Mid (pH 6-8) 2.67 6.15 -94.28 2 7 0 107 371.415 3
Mid Mid (pH 6-8) 1.74 3.24 -106.08 0 7 -2 105 369.399 4

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

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