UCSF

ZINC76945662

Substance Information

In ZINC since Heavy atoms Benign functionality
September 12th, 2012 19 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) 2.21 5.1 -16.9 0 8 0 113 260.209 4

Vendor Notes

Note Type Comments Provided By
Notes Photoreactive-Primary amine reactiveRef: Galardy.R.E, et al(1974)J.Biol.Chem.249, 3510-3518Ref: Vandlen,R.L, et al(1985)J.Biol.Chem. 260, 10889-92 Apollo Scientific Bioactives

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

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