UCSF

ZINC13411748

Substance Information

In ZINC since Heavy atoms Benign functionality
June 18th, 2008 30 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) 3.76 8.79 -63.92 2 9 -1 137 442.502 6
Mid Mid (pH 6-8) 4.21 6.33 -128.92 1 9 -2 140 441.494 6

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

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