UCSF

ZINC69739192

Substance Information

In ZINC since Heavy atoms Benign functionality
October 29th, 2011 22 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) 0.94 7.95 -42.93 1 6 1 47 304.418 4
Hi High (pH 8-9.5) 0.94 5.36 -15.7 0 6 0 46 303.41 4
Lo Low (pH 4.5-6) 0.94 8.42 -72.25 2 6 2 48 305.426 4

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

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