UCSF

ZINC49564182

Substance Information

In ZINC since Heavy atoms Benign functionality
October 6th, 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) 2.58 5.55 -33.87 4 3 1 42 232.351 2
Hi High (pH 8-9.5) 2.58 3.4 -2.45 3 3 0 41 231.343 2
Lo Low (pH 4.5-6) 2.58 5.42 -83.98 5 3 2 44 233.359 2

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

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