UCSF

ZINC40124284

Substance Information

In ZINC since Heavy atoms Benign functionality
March 24th, 2010 32 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) 5.22 10.48 -50.92 1 5 -1 78 428.508 6
Lo Low (pH 4.5-6) 5.22 9.72 -9.6 2 5 0 76 429.516 6

Activity (Go SEA)

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