UCSF

ZINC13261357

Substance Information

In ZINC since Heavy atoms Benign functionality
June 13th, 2008 26 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) 0.91 7.28 -59.24 1 10 -1 131 356.318 4
Mid Mid (pH 6-8) 0.91 7.77 -82.13 2 10 0 132 357.326 4

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

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