UCSF

ZINC66058772

Substance Information

In ZINC since Heavy atoms Benign functionality
August 18th, 2011 33 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) 5.35 13.69 -10.83 1 8 0 71 506.408 5
Mid Mid (pH 6-8) 5.35 15.97 -45.8 2 8 1 73 507.416 5
Lo Low (pH 4.5-6) 5.35 15.51 -83.24 3 8 2 74 508.424 5

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

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