UCSF

ZINC37172616

Substance Information

In ZINC since Heavy atoms Benign functionality
November 22nd, 2009 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) 2.49 7.17 -122.14 4 2 2 32 240.366 6
Hi High (pH 8-9.5) 2.49 6.83 -37.3 3 2 1 30 239.358 6
Mid Mid (pH 6-8) 2.49 5.67 -48.63 3 2 1 31 239.358 6

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Rings

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