UCSF

ZINC69688108

Substance Information

In ZINC since Heavy atoms Benign functionality
October 29th, 2011 21 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

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Vendors

    None

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) 3.33 10.08 -60.84 1 4 1 35 357.178 4
Lo Low (pH 4.5-6) 3.33 10.56 -131.58 2 4 2 37 358.186 4

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

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