UCSF

ZINC49119541

Substance Information

In ZINC since Heavy atoms Benign functionality
September 24th, 2010 19 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) 2.68 7.65 -52.89 2 4 1 57 266.409 4
Hi High (pH 8-9.5) 2.53 5.68 -30.25 1 4 0 64 265.401 4

Activity (Go SEA)

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