UCSF

ZINC62967684

Substance Information

In ZINC since Heavy atoms Benign functionality
May 20th, 2011 14 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) 1.77 5.92 -33.48 1 2 1 8 217.764 4
Hi High (pH 8-9.5) 1.77 3.51 -1.93 0 2 0 6 216.756 4
Lo Low (pH 4.5-6) 1.77 8.28 -106.61 2 2 2 9 218.772 4

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

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