UCSF

ZINC14560078

Substance Information

In ZINC since Heavy atoms Benign functionality
July 12th, 2008 18 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) -1.66 -4.01 -15.57 3 8 0 113 252.23 2
Mid Mid (pH 6-8) -1.21 -5.91 -51.31 2 8 -1 116 251.222 2

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

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