UCSF

ZINC52831247

Substance Information

In ZINC since Heavy atoms Benign functionality
November 14th, 2010 15 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) 0.73 4.92 -86.94 3 4 2 43 206.293 2
Hi High (pH 8-9.5) 0.73 2.23 -7.45 1 4 0 41 204.277 2
Mid Mid (pH 6-8) 0.73 4.75 -42.15 2 4 1 42 205.285 2
Mid Mid (pH 6-8) 0.73 4.92 -84.13 3 4 2 43 206.293 2

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

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