UCSF

ZINC69847795

Substance Information

In ZINC since Heavy atoms Benign functionality
October 31st, 2011 23 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) 1.79 8.41 -9.16 2 7 0 80 316.409 7
Lo Low (pH 4.5-6) 1.79 10.75 -36.42 3 7 1 82 317.417 7
Lo Low (pH 4.5-6) 1.79 8.76 -27.53 3 7 1 82 317.417 7

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

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