UCSF

ZINC14234645

Substance Information

In ZINC since Heavy atoms Benign functionality
July 5th, 2008 39 No

Download: MOL2 SDF SMILES Flexibase

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) -2.57 11.59 -50.65 3 11 0 154 546.609 8
Lo Low (pH 4.5-6) -2.57 11.78 -77.41 4 11 1 155 547.617 8

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

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