UCSF

ZINC22693297

Substance Information

In ZINC since Heavy atoms Benign functionality
December 19th, 2008 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) 0.56 -0.61 -37.55 1 7 -1 90 293.347 5
Mid Mid (pH 6-8) 0.56 1.39 -60.23 2 7 0 92 294.355 5
Lo Low (pH 4.5-6) 0.10 2.21 -47.48 3 7 1 89 295.363 5

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

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