UCSF

ZINC52443878

Substance Information

In ZINC since Heavy atoms Benign functionality
November 9th, 2010 19 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) 3.57 10.5 -112.15 3 2 2 21 262.441 6
Hi High (pH 8-9.5) 3.57 9.98 -30.17 2 2 1 16 261.433 6

Activity (Go SEA)

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