UCSF

ZINC70116902

Substance Information

In ZINC since Heavy atoms Benign functionality
November 4th, 2011 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) 1.43 3.61 -34.61 4 5 1 82 249.338 2
Mid Mid (pH 6-8) 1.43 3.45 -8.2 3 5 0 81 248.33 2
Lo Low (pH 4.5-6) 1.43 3.67 -32.02 4 5 1 82 249.338 2

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

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