UCSF

ZINC54705338

Substance Information

In ZINC since Heavy atoms Benign functionality
December 6th, 2010 21 No

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) 0.47 -0.65 -14.53 3 7 0 99 289.291 1
Hi High (pH 8-9.5) 0.66 -3.29 -47.64 2 7 -1 105 288.283 1

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

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