UCSF

ZINC17122393

Substance Information

In ZINC since Heavy atoms Benign functionality
September 15th, 2008 20 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) -0.31 0.62 -50.85 4 8 1 118 277.26 4
Hi High (pH 8-9.5) 0.14 -1.21 -44.73 3 8 0 121 276.252 4

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

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