UCSF

ZINC71551625

Substance Information

In ZINC since Heavy atoms Benign functionality
December 11th, 2011 26 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) 2.09 7.24 -41.62 4 7 1 91 352.466 4
Hi High (pH 8-9.5) 2.09 6.77 -13.79 3 7 0 89 351.458 4
Mid Mid (pH 6-8) 2.09 8.93 -46.91 4 7 1 90 352.466 4
Lo Low (pH 4.5-6) 2.09 7.75 -102.49 5 7 2 92 353.474 4

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

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