UCSF

ZINC31919476

Substance Information

In ZINC since Heavy atoms Benign functionality
April 18th, 2009 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) 0.76 4.89 -52.27 0 9 -1 116 319.297 5
Lo Low (pH 4.5-6) 0.76 5.29 -48.28 1 9 0 117 320.305 5
Lo Low (pH 4.5-6) 0.76 7.29 -50.38 1 9 0 117 320.305 5

Activity (Go SEA)

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