UCSF

ZINC56099488

Substance Information

In ZINC since Heavy atoms Benign functionality
December 27th, 2010 23 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

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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) 1.23 0.5 -16.08 5 8 0 126 313.317 4
Lo Low (pH 4.5-6) 1.23 0.94 -35.21 6 8 1 127 314.325 4
Lo Low (pH 4.5-6) 1.23 0.5 -14.79 5 8 0 126 313.317 4

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

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