UCSF

ZINC22709065

Substance Information

In ZINC since Heavy atoms Benign functionality
December 19th, 2008 32 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) 5.52 7.96 -12.69 3 6 0 97 473.335 6
Lo Low (pH 4.5-6) 5.52 8.28 -52.71 4 6 1 99 474.343 6

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

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