UCSF

ZINC83300831

Substance Information

In ZINC since Heavy atoms Benign functionality
January 15th, 2013 19 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) 1.42 3.49 -43.34 3 4 1 59 261.345 6
Hi High (pH 8-9.5) 1.42 1.63 -7.91 2 4 0 54 260.337 6
Lo Low (pH 4.5-6) 1.42 3.94 -95.25 4 4 2 60 262.353 6

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

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