UCSF

ZINC12222491

Substance Information

In ZINC since Heavy atoms Benign functionality
April 5th, 2008 21 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) 1.54 1.39 -10.28 0 5 0 57 281.315 5
Lo Low (pH 4.5-6) 1.54 1.5 -38.62 1 5 1 58 282.323 5
Lo Low (pH 4.5-6) 1.54 1.5 -42.68 1 5 1 58 282.323 5
Lo Low (pH 4.5-6) 1.54 1.61 -83.69 2 5 2 60 283.331 5

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

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