UCSF

ZINC35744345

Substance Information

In ZINC since Heavy atoms Benign functionality
October 11th, 2009 26 Yes

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) 2.15 7.02 -52.06 3 6 1 80 380.534 9
Hi High (pH 8-9.5) 2.61 4.55 -42.92 2 6 0 83 379.526 9
Hi High (pH 8-9.5) 2.15 5.67 -15.28 2 6 0 78 379.526 9

Activity (Go SEA)

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