UCSF

ZINC54668074

Substance Information

In ZINC since Heavy atoms Benign functionality
December 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) 3.63 5.27 -5.24 2 3 0 52 236.359 2
Lo Low (pH 4.5-6) 3.63 5.32 -23.71 3 3 1 53 237.367 2

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

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