UCSF

ZINC48927032

Substance Information

In ZINC since Heavy atoms Benign functionality
September 21st, 2010 20 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) 2.25 7.37 -44.63 2 4 1 37 276.404 4
Mid Mid (pH 6-8) 2.25 5.01 -8.39 1 4 0 36 275.396 4

Activity (Go SEA)

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