UCSF

ZINC52396145

Substance Information

In ZINC since Heavy atoms Benign functionality
November 9th, 2010 18 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) 2.27 7.23 -44.21 2 3 1 34 272.706 5
Mid Mid (pH 6-8) 2.27 5.9 -7.73 1 3 0 30 271.698 5
Lo Low (pH 4.5-6) 2.27 7.62 -118.06 3 3 2 36 273.714 5

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

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