UCSF

ZINC48963422

Substance Information

In ZINC since Heavy atoms Benign functionality
September 21st, 2010 17 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) 1.87 5.87 -52.04 2 4 1 57 238.355 4
Hi High (pH 8-9.5) 1.73 3.94 -35.6 1 4 0 64 237.347 4

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