UCSF

ZINC31993859

Substance Information

In ZINC since Heavy atoms Benign functionality
April 19th, 2009 20 No

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) 2.41 7.62 -44.85 3 6 1 86 282.364 8
Hi High (pH 8-9.5) 2.41 5.4 -7.14 2 6 0 84 281.356 8

Activity (Go SEA)

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