UCSF

ZINC39970536

Substance Information

In ZINC since Heavy atoms Benign functionality
March 20th, 2010 27 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) 4.50 7.92 -12.96 3 5 0 70 405.589 7
Hi High (pH 8-9.5) 4.50 8.06 -50.99 2 5 -1 72 404.581 7

Activity (Go SEA)

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