UCSF

ZINC05287304

Substance Information

In ZINC since Heavy atoms Benign functionality
January 28th, 2006 23 No

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) 3.75 4.8 -11.13 1 5 0 70 352.843 4
Hi High (pH 8-9.5) 3.75 5.57 -45.2 0 5 -1 73 351.835 4
Lo Low (pH 4.5-6) 3.75 5.26 -38.55 2 5 1 72 353.851 4

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