UCSF

ZINC79094782

Substance Information

In ZINC since Heavy atoms Benign functionality
October 12th, 2012 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) 0.11 3.37 -56.41 5 7 1 105 288.331 3
Mid Mid (pH 6-8) 0.11 0.37 -22.9 4 7 0 104 287.323 3
Lo Low (pH 4.5-6) 0.11 3.8 -114.96 6 7 2 107 289.339 3

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

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