UCSF

ZINC62967697

Substance Information

In ZINC since Heavy atoms Benign functionality
May 20th, 2011 15 No

Download: MOL2 SDF SMILES Flexibase

Annotations

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) 2.04 6.72 -32.42 1 2 1 8 231.791 5
Hi High (pH 8-9.5) 2.04 6.7 -36.31 1 2 1 8 231.791 5
Hi High (pH 8-9.5) 2.04 4.32 -2.02 0 2 0 6 230.783 5
Mid Mid (pH 6-8) 2.04 9.09 -106.59 2 2 2 9 232.799 5

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

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