UCSF

ZINC62839802

Substance Information

In ZINC since Heavy atoms Benign functionality
May 15th, 2011 18 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) -0.62 -0.65 -42.46 3 5 1 60 256.37 3
Lo Low (pH 4.5-6) -0.62 1.66 -90.62 4 5 2 62 257.378 3

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

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