UCSF

ZINC49480347

Substance Information

In ZINC since Heavy atoms Benign functionality
September 30th, 2010 15 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) 1.67 5.15 -42.96 2 4 1 46 228.341 5
Mid Mid (pH 6-8) 1.49 4.55 -34.59 1 4 0 53 227.333 5

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