UCSF

ZINC52382168

Substance Information

In ZINC since Heavy atoms Benign functionality
November 9th, 2010 18 Yes

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) 1.29 3.27 -40.52 2 4 1 42 270.422 6
Hi High (pH 8-9.5) 1.29 1.92 -5.49 1 4 0 37 269.414 6
Lo Low (pH 4.5-6) 1.29 5.57 -92.93 3 4 2 43 271.43 6

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

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