UCSF

ZINC52883207

Substance Information

In ZINC since Heavy atoms Benign functionality
November 14th, 2010 17 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) 2.93 7.35 -32.28 3 2 1 30 233.379 3
Hi High (pH 8-9.5) 2.93 5.46 -1.14 2 2 0 29 232.371 3
Lo Low (pH 4.5-6) 2.93 7.54 -117.86 4 2 2 32 234.387 3

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

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