UCSF

ZINC70103353

Substance Information

In ZINC since Heavy atoms Benign functionality
November 4th, 2011 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) 3.29 8.51 -6.54 1 3 0 38 247.367 5
Lo Low (pH 4.5-6) 3.29 8.97 -27.45 2 3 1 39 248.375 5

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

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