UCSF

ZINC41626391

Substance Information

In ZINC since Heavy atoms Benign functionality
April 21st, 2010 23 No

Download: MOL2 SDF SMILES Flexibase

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) 3.03 8.17 -41.13 2 5 1 54 356.899 8
Hi High (pH 8-9.5) 3.03 5.76 -8.28 1 5 0 53 355.891 8

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

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