UCSF

ZINC05289448

Substance Information

In ZINC since Heavy atoms Benign functionality
January 28th, 2006 20 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) 3.96 6.91 -8.88 1 4 0 59 269.3 4
Hi High (pH 8-9.5) 3.96 7.68 -50.23 0 4 -1 62 268.292 4
Lo Low (pH 4.5-6) 3.96 7.36 -32.3 2 4 1 61 270.308 4

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