UCSF

ZINC69145783

Substance Information

In ZINC since Heavy atoms Benign functionality
October 19th, 2011 20 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) 1.78 3.62 -5.27 2 5 0 65 282.384 5
Mid Mid (pH 6-8) 1.78 3.87 -44.18 3 5 1 66 283.392 5
Lo Low (pH 4.5-6) 1.78 5.74 -118.46 4 5 2 68 284.4 5
Lo Low (pH 4.5-6) 1.78 5.51 -32.94 3 5 1 66 283.392 5

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

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