UCSF

ZINC19535680

Substance Information

In ZINC since Heavy atoms Benign functionality
November 3rd, 2008 13 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) 0.43 -1.18 -40.29 1 6 -1 85 194.199 2
Mid Mid (pH 6-8) 0.36 2.74 -12.58 2 6 0 84 195.207 2

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

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