UCSF

ZINC49581249

Substance Information

In ZINC since Heavy atoms Benign functionality
October 6th, 2010 28 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) 3.68 11.79 -58.3 1 6 0 83 386.492 9
Lo Low (pH 4.5-6) 3.68 10.24 -44.68 2 6 1 80 387.5 9

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

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