UCSF

ZINC39192895

Substance Information

In ZINC since Heavy atoms Benign functionality
February 8th, 2010 22 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) -1.54 5.16 -14.5 4 8 0 144 302.29 5
Mid Mid (pH 6-8) -1.54 5.45 -75.77 5 8 1 145 303.298 5
Lo Low (pH 4.5-6) -1.54 5.74 -181.28 6 8 2 147 304.306 5

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

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