UCSF

ZINC60020552

Substance Information

In ZINC since Heavy atoms Benign functionality
March 13th, 2011 16 Yes

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) 2.06 6.8 -17.42 1 4 0 44 224.214 2
Mid Mid (pH 6-8) 2.06 5.94 -38.16 0 4 -1 42 223.206 2
Lo Low (pH 4.5-6) 2.06 7.34 -32.4 2 4 1 42 225.222 2

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

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