UCSF

ZINC85946001

Substance Information

In ZINC since Heavy atoms Benign functionality
February 25th, 2013 35 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) 0.73 -3.03 -24.78 7 12 0 207 490.417 5
Hi High (pH 8-9.5) 0.73 -2.03 -73.63 6 12 -1 210 489.409 5

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

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