UCSF

ZINC49567460

Substance Information

In ZINC since Heavy atoms Benign functionality
October 6th, 2010 19 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) -0.67 -4.65 -11.83 5 7 0 112 326.154 1
Hi High (pH 8-9.5) -0.49 -7.25 -15.5 4 7 0 119 325.146 1
Lo Low (pH 4.5-6) -0.67 -4.38 -35.06 6 7 0 114 327.162 1

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

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