UCSF

ZINC42308776

Substance Information

In ZINC since Heavy atoms Benign functionality
April 27th, 2010 15 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) 1.37 3.78 -35.26 2 3 1 29 213.345 6
Hi High (pH 8-9.5) 1.37 2.49 -2.3 1 3 0 24 212.337 6
Lo Low (pH 4.5-6) 1.37 6.1 -107.49 3 3 2 30 214.353 6

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