UCSF

ZINC69569688

Substance Information

In ZINC since Heavy atoms Benign functionality
October 27th, 2011 19 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) -0.11 2.76 -14.72 0 7 0 65 259.317 4
Lo Low (pH 4.5-6) -0.11 5.73 -58.04 1 7 1 66 260.325 4

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

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