UCSF

ZINC19667540

Substance Information

In ZINC since Heavy atoms Benign functionality
November 6th, 2008 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) 2.45 5.19 -40.52 3 3 1 40 263.405 5
Hi High (pH 8-9.5) 2.45 7.23 -28.75 3 3 1 40 263.405 5
Lo Low (pH 4.5-6) 2.45 7.24 -122.86 4 3 2 41 264.413 5

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