UCSF

ZINC05294029

Substance Information

In ZINC since Heavy atoms Benign functionality
January 28th, 2006 25 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) 4.01 4.65 -14.63 2 5 0 79 354.431 4
Hi High (pH 8-9.5) 4.01 5.42 -58.77 1 5 -1 82 353.423 4
Lo Low (pH 4.5-6) 4.01 5.08 -38.58 3 5 1 80 355.439 4

Activity (Go SEA)

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