UCSF

ZINC52873487

Substance Information

In ZINC since Heavy atoms Benign functionality
November 14th, 2010 24 No

Download: MOL2 SDF SMILES Flexibase

Annotations

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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) 2.93 7.61 -51.2 1 5 1 59 359.556 8
Hi High (pH 8-9.5) 2.93 5.64 -16.47 0 5 0 58 358.548 8

Activity (Go SEA)

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