UCSF

ZINC71390008

Substance Information

In ZINC since Heavy atoms Benign functionality
December 6th, 2011 21 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) 2.03 7.06 -8.31 3 5 0 75 284.363 3
Lo Low (pH 4.5-6) 2.03 7.56 -26.14 4 5 1 76 285.371 3

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

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