UCSF

ZINC54235657

Substance Information

In ZINC since Heavy atoms Benign functionality
December 1st, 2010 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) 3.47 9.4 -5.96 0 4 0 42 288.372 5
Lo Low (pH 4.5-6) -1.13 9.53 -26.28 1 4 1 41 289.38 6

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

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