UCSF

ZINC49334982

Substance Information

In ZINC since Heavy atoms Benign functionality
September 27th, 2010 15 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) -0.03 1.51 -9.09 0 5 0 59 209.249 3
Mid Mid (pH 6-8) -0.03 3.7 -44.42 1 5 1 60 210.257 3

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

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