UCSF

ZINC19636942

Substance Information

In ZINC since Heavy atoms Benign functionality
November 5th, 2008 16 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) 0.39 2.95 -105 3 4 2 34 229.368 4
Mid Mid (pH 6-8) 0.39 4.04 -84.64 3 4 2 30 229.368 4
Mid Mid (pH 6-8) 0.39 0.57 -40.95 2 4 1 32 228.36 4
Lo Low (pH 4.5-6) 0.39 5.22 -198.71 4 4 3 35 230.376 4

Vendor Notes

Note Type Comments Provided By
Warnings IRRITANT Matrix Scientific

Activity (Go SEA)

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