UCSF

ZINC20191081

Substance Information

In ZINC since Heavy atoms Benign functionality
November 18th, 2008 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) 2.58 5.88 -45.77 3 4 1 55 340.241 7
Mid Mid (pH 6-8) 2.58 4.56 -6.61 2 4 0 50 339.233 7

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