UCSF

ZINC41587988

Substance Information

In ZINC since Heavy atoms Benign functionality
April 21st, 2010 26 No

Download: MOL2 SDF SMILES Flexibase

Annotations

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Vendors

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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) 3.06 7.38 -8.27 0 5 0 56 350.418 3
Mid Mid (pH 6-8) 3.06 9.86 -47.91 1 5 1 57 351.426 3
Lo Low (pH 4.5-6) 3.06 10.34 -86.35 2 5 2 58 352.434 3

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

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