UCSF

ZINC34926968

Substance Information

In ZINC since Heavy atoms Benign functionality
October 1st, 2009 20 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) 2.84 9.15 -48.08 5 4 1 64 283.38 2
Mid Mid (pH 6-8) 2.97 8.9 -50.58 5 4 1 62 283.38 2
Mid Mid (pH 6-8) 2.97 8.96 -13.17 4 4 0 60 282.372 2

Vendor Notes

Note Type Comments Provided By
Warnings IRRITANT Matrix Scientific

Activity (Go SEA)

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