UCSF

ZINC19672450

Substance Information

In ZINC since Heavy atoms Benign functionality
November 6th, 2008 16 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) 0.16 1.15 -50.17 3 5 1 66 229.3 1
Mid Mid (pH 6-8) 0.16 0.88 -8.16 2 5 0 65 228.292 1

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