UCSF

ZINC52953225

Substance Information

In ZINC since Heavy atoms Benign functionality
November 15th, 2010 26 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) -0.02 4.48 -20.75 1 7 0 92 370.434 6
Lo Low (pH 4.5-6) -0.02 5.13 -48.14 2 7 1 93 371.442 6

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

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