UCSF

ZINC36968732

Substance Information

In ZINC since Heavy atoms Benign functionality
November 18th, 2009 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) 1.77 1.92 -110.22 1 7 -2 121 330.318 4
Hi High (pH 8-9.5) 2.23 -0.21 -187.82 0 7 -3 124 329.31 4
Mid Mid (pH 6-8) 1.77 1.89 -43.7 2 7 -1 119 331.326 4

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

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