UCSF

ZINC15937402

Substance Information

In ZINC since Heavy atoms Benign functionality
August 3rd, 2008 37 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) 6.09 16.6 -10.75 1 5 0 54 511.519 9
Lo Low (pH 4.5-6) 6.09 17.42 -41.69 2 5 1 56 512.527 9
Lo Low (pH 4.5-6) 6.09 16.29 -45.41 2 5 1 56 512.527 8

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

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