UCSF

ZINC54430872

Substance Information

In ZINC since Heavy atoms Benign functionality
December 3rd, 2010 21 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) 0.29 2.93 -44.22 4 9 1 116 294.339 7
Hi High (pH 8-9.5) 0.29 0.78 -8.41 3 9 0 115 293.331 7

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

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