UCSF

ZINC69251739

Substance Information

In ZINC since Heavy atoms Benign functionality
October 21st, 2011 20 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) 1.71 6.94 -34.89 2 4 1 42 274.388 4
Hi High (pH 8-9.5) 1.71 5.75 -26.55 2 4 1 42 274.388 4
Hi High (pH 8-9.5) 1.71 5.32 -9.66 1 4 0 41 273.38 4

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

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