UCSF

ZINC67741260

Substance Information

In ZINC since Heavy atoms Benign functionality
September 14th, 2011 27 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) 0.77 5.48 -74.44 2 9 0 104 366.429 5
Mid Mid (pH 6-8) 0.77 3.39 -44.42 1 9 -1 103 365.421 5
Lo Low (pH 4.5-6) 0.77 5.73 -54.13 3 9 1 106 367.437 5

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

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