UCSF

ZINC42867669

Substance Information

In ZINC since Heavy atoms Benign functionality
May 5th, 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) 1.64 3.15 -37.44 2 3 1 33 228.385 7
Mid Mid (pH 6-8) 1.64 5.51 -99.38 3 3 2 34 229.393 7

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