UCSF

ZINC14533793

Substance Information

In ZINC since Heavy atoms Benign functionality
July 11th, 2008 36 Yes

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) 2.69 9.94 -16.33 2 10 0 116 488.479 8
Lo Low (pH 4.5-6) 2.69 10.2 -44.38 3 10 1 117 489.487 8

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

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