UCSF

ZINC67743034

Substance Information

In ZINC since Heavy atoms Benign functionality
September 14th, 2011 27 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) 0.70 3.37 -21.55 3 9 0 114 386.437 5
Lo Low (pH 4.5-6) 0.70 3.81 -41.24 4 9 1 115 387.445 5

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

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