UCSF

ZINC67727172

Substance Information

In ZINC since Heavy atoms Benign functionality
September 14th, 2011 22 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) -1.00 3.15 -48.34 3 6 0 89 304.346 4
Lo Low (pH 4.5-6) -1.00 5.61 -88.92 4 6 1 91 305.354 4

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

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