UCSF

ZINC64541936

Substance Information

In ZINC since Heavy atoms Benign functionality
June 21st, 2011 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) 0.22 3.71 -23.44 1 6 0 72 253.265 2
Lo Low (pH 4.5-6) 0.22 3.82 -50.49 2 6 1 73 254.273 2

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

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