UCSF

ZINC20120664

Substance Information

In ZINC since Heavy atoms Benign functionality
November 16th, 2008 21 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) 2.77 3.76 -3.83 1 4 0 34 292.423 6
Mid Mid (pH 6-8) 2.77 5.46 -40.84 2 4 1 38 293.431 6
Lo Low (pH 4.5-6) 2.77 6.23 -34.16 2 4 1 35 293.431 6

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

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