UCSF

ZINC66156584

Substance Information

In ZINC since Heavy atoms Benign functionality
August 20th, 2011 46 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) 6.75 12.36 -11.44 0 8 0 62 622.762 4
Mid Mid (pH 6-8) 6.75 15.15 -50.56 1 8 1 63 623.77 4
Lo Low (pH 4.5-6) 6.75 17.27 -92.98 2 8 2 64 624.778 4

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

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