UCSF

ZINC34670003

Substance Information

In ZINC since Heavy atoms Benign functionality
September 18th, 2009 24 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) 2.15 6.94 -51.53 3 6 1 71 347.826 5
Hi High (pH 8-9.5) 2.15 5.67 -13.6 2 6 0 66 346.818 5
Lo Low (pH 4.5-6) 2.15 7.3 -107.02 4 6 2 72 348.834 5

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