UCSF

ZINC56705183

Substance Information

In ZINC since Heavy atoms Benign functionality
January 7th, 2011 17 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) 0.41 2.08 -43.29 2 8 -1 107 233.211 4
Hi High (pH 8-9.5) 0.41 3 -94.04 1 8 -2 109 232.203 4
Lo Low (pH 4.5-6) 0.41 2.21 -12.39 3 8 0 108 234.219 4

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

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