UCSF

ZINC69273634

Substance Information

In ZINC since Heavy atoms Benign functionality
October 22nd, 2011 21 No

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) 2.25 5.39 -8.79 2 4 0 58 294.301 4
Hi High (pH 8-9.5) 2.44 4.53 -50.43 1 4 -1 65 293.293 4

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