UCSF

ZINC54931610

Substance Information

In ZINC since Heavy atoms Benign functionality
December 9th, 2010 13 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) 1.90 2.93 -41.35 2 2 1 20 262.196 3
Hi High (pH 8-9.5) 1.90 1.27 -2.17 1 2 0 15 261.188 3
Lo Low (pH 4.5-6) 1.90 3.55 -37.58 2 2 1 16 262.196 3

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

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