UCSF

ZINC16980957

Substance Information

In ZINC since Heavy atoms Benign functionality
September 11th, 2008 11 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) -0.35 0.36 -47.51 0 6 -1 80 150.121 0
Mid Mid (pH 6-8) -0.80 0.51 -26.15 1 6 0 76 151.129 0

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

No pre-computed analogs available. Try a structural similarity search.