UCSF

ZINC50653247

Substance Information

In ZINC since Heavy atoms Benign functionality
October 21st, 2010 21 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) 0.39 3.2 -48.33 4 8 1 122 315.375 4
Hi High (pH 8-9.5) 0.39 3.15 -52.41 3 8 0 125 314.367 4
Hi High (pH 8-9.5) 0.39 0.8 -13.93 3 8 0 121 314.367 4

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

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