UCSF

ZINC19329272

Substance Information

In ZINC since Heavy atoms Benign functionality
October 30th, 2008 23 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) 3.22 6.71 -11.83 1 5 0 46 328.803 3
Lo Low (pH 4.5-6) 3.22 7.8 -31.09 2 5 1 47 329.811 3

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

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