UCSF

ZINC40143141

Substance Information

In ZINC since Heavy atoms Benign functionality
March 24th, 2010 22 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) 3.23 6.22 -38.42 3 5 1 68 356.258 4
Hi High (pH 8-9.5) 3.23 5.17 -10.03 2 5 0 66 355.25 4
Hi High (pH 8-9.5) 3.41 4.5 -29.6 2 5 0 74 355.25 4
Hi High (pH 8-9.5) 3.41 3.38 -46.72 1 5 -1 73 354.242 4

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