UCSF

ZINC69809021

Substance Information

In ZINC since Heavy atoms Benign functionality
October 30th, 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) 2.45 9.86 -40.92 1 3 1 25 261.389 3
Hi High (pH 8-9.5) 2.45 8 -8.96 0 3 0 24 260.381 3

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

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