UCSF

ZINC36332115

Substance Information

In ZINC since Heavy atoms Benign functionality
October 26th, 2009 14 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) -0.87 -2.43 -10.52 2 4 0 63 218.322 1
Lo Low (pH 4.5-6) -0.87 -0.02 -50.62 3 4 1 65 219.33 1
Lo Low (pH 4.5-6) -0.87 0.26 -136.32 4 4 2 66 220.338 1

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

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