UCSF

ZINC01413143

Substance Information

In ZINC since Heavy atoms Benign functionality
August 17th, 2004 22 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) 2.36 8.16 -9.73 1 5 0 62 290.326 2
Ref Reference (pH 7) 2.36 8.14 -14.66 1 5 0 62 290.326 2
Lo Low (pH 4.5-6) 2.36 8.55 -32.23 2 5 1 63 291.334 2
Lo Low (pH 4.5-6) 2.36 8.54 -33.97 2 5 1 63 291.334 2

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

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