UCSF

ZINC32050762

Substance Information

In ZINC since Heavy atoms Benign functionality
April 20th, 2009 19 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) 1.81 2 -51.1 4 4 1 60 285.795 4
Hi High (pH 8-9.5) 1.81 2.79 -81.48 3 4 0 63 284.787 4
Hi High (pH 8-9.5) 1.81 4.45 -52.39 3 4 0 63 284.787 4
Mid Mid (pH 6-8) 1.81 4.83 -135.25 4 4 1 64 285.795 4

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