UCSF

ZINC95627891

Substance Information

In ZINC since Heavy atoms Benign functionality
January 20th, 2014 25 No

Other Names:

Kukoline

Sinomenine

Download: MOL2 SDF SMILES Flexibase

Annotations

Vendors

    None

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) 0.89 8.15 -73.91 2 5 0 68 342.415 2
Hi High (pH 8-9.5) 0.89 6.63 -59.02 0 5 -1 70 340.399 2
Mid Mid (pH 6-8) 0.89 6.01 -17.25 1 5 0 67 341.407 2
Mid Mid (pH 6-8) 0.89 8.77 -87.26 1 5 0 71 341.407 2

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

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