UCSF

ZINC38604952

Substance Information

In ZINC since Heavy atoms Benign functionality
January 27th, 2010 29 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

None

Vendors

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) 1.22 5.18 -81.6 3 9 2 96 406.483 8
Mid Mid (pH 6-8) 1.22 5.07 -98.93 3 9 2 96 406.483 8
Mid Mid (pH 6-8) 1.22 2.89 -32.28 2 9 1 94 405.475 8

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

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