UCSF

ZINC36146167

Substance Information

In ZINC since Heavy atoms Benign functionality
October 23rd, 2009 26 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

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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) 2.02 2.47 -7.38 1 6 0 56 354.454 1
Mid Mid (pH 6-8) 2.02 4.77 -43.5 2 6 1 57 355.462 1
Mid Mid (pH 6-8) 2.02 4.73 -28.73 2 6 1 57 355.462 1
Lo Low (pH 4.5-6) 2.02 7.03 -81.67 3 6 2 58 356.47 1

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

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