UCSF

ZINC52395565

Substance Information

In ZINC since Heavy atoms Benign functionality
November 9th, 2010 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) 1.47 6.24 -10.83 0 5 0 47 287.31 6
Mid Mid (pH 6-8) 1.47 6.19 -34.96 1 5 1 49 288.318 6
Mid Mid (pH 6-8) 1.47 8.33 -42.42 1 5 1 49 288.318 6
Lo Low (pH 4.5-6) 1.47 8.41 -112.17 2 5 2 50 289.326 6

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

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