UCSF

ZINC69659264

Substance Information

In ZINC since Heavy atoms Benign functionality
October 28th, 2011 25 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) 1.94 7.07 -20.88 1 7 0 68 344.463 5
Mid Mid (pH 6-8) 1.94 7.62 -35.68 2 7 1 69 345.471 5
Lo Low (pH 4.5-6) 1.94 9.22 -56.03 2 7 1 69 345.471 5

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

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