UCSF

ZINC17207183

Substance Information

In ZINC since Heavy atoms Benign functionality
September 17th, 2008 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) 1.78 4.55 -59.08 1 8 -1 124 288.239 4
Hi High (pH 8-9.5) 2.24 3.46 -122.39 0 8 -2 127 287.231 4

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

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