UCSF

ZINC21981922

Substance Information

In ZINC since Heavy atoms Benign functionality
December 11th, 2008 9 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) 1.88 2.12 -24.52 1 2 0 37 143.573 0
Mid Mid (pH 6-8) 1.88 1.02 -5.22 1 2 0 33 143.573 0
Mid Mid (pH 6-8) 1.88 1.68 -39.42 0 2 -1 36 142.565 0

Vendor Notes

Note Type Comments Provided By
Warnings IRRITANT Matrix Scientific

Activity (Go SEA)

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