UCSF

ZINC41071764

Substance Information

In ZINC since Heavy atoms Benign functionality
April 16th, 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) -3.44 -2.71 -65.6 7 8 1 138 293.303 5
Hi High (pH 8-9.5) -2.85 -3.73 -85.82 7 8 0 152 292.295 5
Hi High (pH 8-9.5) -3.44 -3.06 -19.09 6 8 0 137 292.295 5

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

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