UCSF

ZINC19995546

Substance Information

In ZINC since Heavy atoms Benign functionality
November 14th, 2008 26 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) 1.78 3.9 -54.26 1 8 -1 100 357.39 5
Lo Low (pH 4.5-6) 1.32 5.68 -11.84 2 8 0 96 358.398 5
Lo Low (pH 4.5-6) 1.78 5.21 -61.45 2 8 0 101 358.398 5

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

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