UCSF

ZINC58515547

Substance Information

In ZINC since Heavy atoms Benign functionality
February 8th, 2011 26 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

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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) 2.57 8.12 -42.12 3 7 1 81 359.381 5
Hi High (pH 8-9.5) 2.57 5.64 -13.59 2 7 0 80 358.373 5

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

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