UCSF

ZINC49234231

Substance Information

In ZINC since Heavy atoms Benign functionality
September 25th, 2010 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) 2.17 4.78 -7.82 3 5 0 73 278.381 4
Lo Low (pH 4.5-6) -1.39 4.5 -107.37 4 5 2 76 280.397 3

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

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