UCSF

ZINC69876145

Substance Information

In ZINC since Heavy atoms Benign functionality
October 31st, 2011 20 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) -0.04 3.37 -11.82 0 7 0 65 273.344 4
Lo Low (pH 4.5-6) -0.04 3.49 -43.5 1 7 1 66 274.352 4
Lo Low (pH 4.5-6) -0.04 6.34 -49.11 1 7 1 66 274.352 4

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

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