UCSF

ZINC52872530

Substance Information

In ZINC since Heavy atoms Benign functionality
November 14th, 2010 18 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) 0.55 4.35 -42.78 1 5 1 41 252.338 4
Hi High (pH 8-9.5) 0.55 1.86 -8.2 0 5 0 40 251.33 4
Lo Low (pH 4.5-6) 0.55 6.57 -119.34 2 5 2 42 253.346 4

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

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