UCSF

ZINC69841738

Substance Information

In ZINC since Heavy atoms Benign functionality
October 30th, 2011 18 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) 2.54 6.56 -32.07 1 3 1 17 255.426 5
Hi High (pH 8-9.5) 2.54 4.69 -1.79 0 3 0 16 254.418 5
Lo Low (pH 4.5-6) 2.54 8.83 -100.93 2 3 2 18 256.434 5

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

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