UCSF

ZINC57987404

Substance Information

In ZINC since Heavy atoms Benign functionality
January 28th, 2011 24 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) 3.47 6.84 -44.1 3 5 1 55 362.828 5
Hi High (pH 8-9.5) 3.47 4.74 -10.23 2 5 0 54 361.82 5

Activity (Go SEA)

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