UCSF

ZINC65171019

Substance Information

In ZINC since Heavy atoms Benign functionality
July 5th, 2011 30 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) 1.44 5.93 -25.95 1 9 0 108 421.438 4
Lo Low (pH 4.5-6) 1.44 6.39 -55.77 2 9 1 109 422.446 4

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

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