UCSF

ZINC25502088

Substance Information

In ZINC since Heavy atoms Benign functionality
January 29th, 2009 25 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) 5.64 8.71 -44.12 0 3 -1 49 357.405 5
Mid Mid (pH 6-8) 5.19 9.57 -16.01 1 3 0 46 358.413 5

Activity (Go SEA)

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