UCSF

ZINC66322345

Substance Information

In ZINC since Heavy atoms Benign functionality
August 23rd, 2011 37 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) 6.39 22.29 -25.14 0 2 1 9 483.679 9
Lo Low (pH 4.5-6) 6.39 22.09 -49.51 1 2 0 8 484.687 9

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

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