UCSF

ZINC40546112

Substance Information

In ZINC since Heavy atoms Benign functionality
April 9th, 2010 34 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) 6.28 14.66 -51.22 1 5 1 39 515.124 9
Hi High (pH 8-9.5) 6.28 12.41 -9.76 0 5 0 38 514.116 9
Mid Mid (pH 6-8) 6.28 14.69 -44.06 1 5 1 39 515.124 9

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

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