UCSF

ZINC98073403

Substance Information

In ZINC since Heavy atoms Benign functionality
August 1st, 2014 35 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) 1.61 13.49 -260.04 0 9 -3 142 494.416 10
Lo Low (pH 4.5-6) 1.61 13.51 -152.44 1 9 -2 143 495.424 10
Lo Low (pH 4.5-6) 1.61 12.55 -133.73 1 9 -2 139 495.424 10

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

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