UCSF

ZINC66167096

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) 5.21 15.22 -24.48 2 8 0 98 617.794 9
Lo Low (pH 4.5-6) 5.21 15.57 -49.78 3 8 1 100 618.802 9

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

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