UCSF

ZINC65329715

Substance Information

In ZINC since Heavy atoms Benign functionality
July 10th, 2011 27 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) 0.56 4.48 -50.39 2 8 1 85 376.481 6
Hi High (pH 8-9.5) 0.56 2.52 -20.29 1 8 0 84 375.473 6

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

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