UCSF

ZINC69133065

Substance Information

In ZINC since Heavy atoms Benign functionality
October 19th, 2011 19 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) 0.33 4.87 -60.4 3 5 1 66 259.333 1
Mid Mid (pH 6-8) 0.33 3.54 -14.99 2 5 0 61 258.325 1
Lo Low (pH 4.5-6) 0.33 5.35 -97.08 4 5 2 67 260.341 1

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

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