UCSF

ZINC70008256

Substance Information

In ZINC since Heavy atoms Benign functionality
November 2nd, 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) 0.51 7.08 -11.15 1 6 0 71 252.281 1
Lo Low (pH 4.5-6) 0.51 7.55 -36.67 2 6 1 72 253.289 1

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

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