UCSF

ZINC23203191

Substance Information

In ZINC since Heavy atoms Benign functionality
December 27th, 2008 35 No

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) 2.04 8.52 -42.22 3 7 1 79 472.613 9
Mid Mid (pH 6-8) 2.04 8.75 -43.92 3 7 1 79 472.613 9
Mid Mid (pH 6-8) 2.04 6.27 -9.39 2 7 0 78 471.605 9
Lo Low (pH 4.5-6) 2.04 8.98 -99.75 4 7 2 80 473.621 9

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

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