UCSF

ZINC57234734

Substance Information

In ZINC since Heavy atoms Benign functionality
January 17th, 2011 19 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) 2.56 7.26 -10.49 1 3 0 30 251.333 4
Mid Mid (pH 6-8) 2.56 7.7 -28.28 2 3 1 31 252.341 4
Lo Low (pH 4.5-6) 2.56 9.04 -116.08 3 3 2 36 253.349 4

Vendor Notes

Note Type Comments Provided By
Warnings IRRITANT Matrix Scientific

Activity (Go SEA)

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

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