UCSF

ZINC49341152

Substance Information

In ZINC since Heavy atoms Benign functionality
September 27th, 2010 20 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) -0.66 0.35 -12.64 2 7 0 91 294.336 1
Hi High (pH 8-9.5) -0.48 -2.3 -47.42 1 7 -1 98 293.328 1

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

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