UCSF

ZINC52571600

Substance Information

In ZINC since Heavy atoms Benign functionality
November 11th, 2010 18 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) 2.48 6.91 -81.63 3 3 2 24 257.466 7
Hi High (pH 8-9.5) 2.48 4.78 -37.17 2 3 1 23 256.458 7

Activity (Go SEA)

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