UCSF

ZINC39821096

Substance Information

In ZINC since Heavy atoms Benign functionality
March 8th, 2010 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) -2.28 2.47 -81.98 6 8 0 146 369.443 10
Hi High (pH 8-9.5) -2.28 2.01 -67.32 5 8 -1 145 368.435 10

Activity (Go SEA)

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