UCSF

ZINC69563450

Substance Information

In ZINC since Heavy atoms Benign functionality
October 26th, 2011 19 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) -0.28 -0.93 -12.5 2 7 0 104 283.309 7
Lo Low (pH 4.5-6) -0.28 -0.58 -48.75 3 7 1 106 284.317 7

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

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