UCSF

ZINC09421730

Substance Information

In ZINC since Heavy atoms Benign functionality
August 25th, 2007 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) 4.60 12.01 -13.49 2 6 0 78 498.384 5
Lo Low (pH 4.5-6) 4.60 12.23 -52 3 6 1 79 499.392 5
Lo Low (pH 4.5-6) 4.60 12.66 -49.36 3 6 1 79 499.392 5

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

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