UCSF

ZINC67433044

Substance Information

In ZINC since Heavy atoms Benign functionality
September 9th, 2011 20 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) 0.00 4.06 -55.75 4 6 1 83 291.404 5
Mid Mid (pH 6-8) 0.00 4.51 -89.71 5 6 2 85 292.412 5
Lo Low (pH 4.5-6) 0.00 4.86 -167.95 6 6 3 86 293.42 5

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

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