UCSF

ZINC69487815

Substance Information

In ZINC since Heavy atoms Benign functionality
October 25th, 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) -0.37 8.09 -39.7 1 7 1 66 296.358 3
Hi High (pH 8-9.5) -0.37 7.62 -19.23 0 7 0 65 295.35 3
Lo Low (pH 4.5-6) -0.37 9.28 -104.42 2 7 2 67 297.366 3

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

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