UCSF

ZINC69892666

Substance Information

In ZINC since Heavy atoms Benign functionality
October 31st, 2011 16 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) 0.67 1.91 -48.2 3 3 1 40 245.412 2
Hi High (pH 8-9.5) 0.67 1.59 -2.33 2 3 0 38 244.404 2
Lo Low (pH 4.5-6) 0.67 3.61 -125.2 4 3 2 41 246.42 2

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

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