UCSF

ZINC54864146

Substance Information

In ZINC since Heavy atoms Benign functionality
December 8th, 2010 16 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) -0.51 2.79 -46.28 3 4 1 53 240.352 1
Hi High (pH 8-9.5) -0.51 2.47 -5.73 2 4 0 51 239.344 1
Mid Mid (pH 6-8) -0.51 3.2 -95.4 4 4 2 54 241.36 1

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

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