UCSF

ZINC63007709

Substance Information

In ZINC since Heavy atoms Benign functionality
May 22nd, 2011 20 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) 0.78 2.66 -9.41 4 5 0 80 278.262 4
Lo Low (pH 4.5-6) 0.78 3.07 -40.37 5 5 1 81 279.27 4

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

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