UCSF

ZINC69566559

Substance Information

In ZINC since Heavy atoms Benign functionality
October 27th, 2011 18 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) -0.71 3.35 -19.54 2 7 0 105 274.298 6
Lo Low (pH 4.5-6) -0.71 3.69 -53.92 3 7 1 106 275.306 6

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

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