UCSF

ZINC69511545

Substance Information

In ZINC since Heavy atoms Benign functionality
October 26th, 2011 21 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) 2.27 8.48 -28.66 1 6 1 57 288.375 3
Hi High (pH 8-9.5) 2.27 7.9 -11.45 0 6 0 56 287.367 3
Lo Low (pH 4.5-6) 2.27 8.8 -80.34 2 6 2 59 289.383 3

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

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