UCSF

ZINC52345162

Substance Information

In ZINC since Heavy atoms Benign functionality
November 8th, 2010 19 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) 1.29 6.92 -9.86 0 5 0 47 265.357 6
Mid Mid (pH 6-8) 1.29 7.37 -32.62 1 5 1 49 266.365 6
Lo Low (pH 4.5-6) 1.29 9.56 -111.23 2 5 2 50 267.373 6
Lo Low (pH 4.5-6) 1.29 9.15 -44.61 1 5 1 49 266.365 6

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

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