UCSF

ZINC61455147

Substance Information

In ZINC since Heavy atoms Benign functionality
April 10th, 2011 18 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) 2.78 8.74 -122.43 4 2 2 32 248.414 6
Hi High (pH 8-9.5) 2.78 6.3 -1.72 2 2 0 29 246.398 6
Mid Mid (pH 6-8) 2.78 8.48 -35.05 3 2 1 30 247.406 6
Mid Mid (pH 6-8) 2.78 5.72 -44.78 3 2 1 31 247.406 6

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

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