UCSF

ZINC96125945

Substance Information

In ZINC since Heavy atoms Benign functionality
April 29th, 2014 35 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) 5.10 15.43 -44.11 3 5 1 67 479.526 7
Hi High (pH 8-9.5) 5.10 14.91 -14.34 2 5 0 66 478.518 7

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

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