UCSF

ZINC19438866

Substance Information

In ZINC since Heavy atoms Benign functionality
November 1st, 2008 19 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) 2.19 4.29 -52.5 3 5 1 66 282.751 3
Hi High (pH 8-9.5) 2.19 2.1 -14.18 2 5 0 65 281.743 3
Hi High (pH 8-9.5) 2.19 5.34 -72.8 2 5 0 69 281.743 3
Hi High (pH 8-9.5) 2.19 3.15 -61.77 1 5 -1 68 280.735 3

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

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