UCSF

ZINC37866248

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
December 12th, 2009 19 Yes

Popular Name: MFCD04150934 MFCD04150934

Find On: PubMed — Wikipedia — Google

CAS Numbers: 1052509-44-0 , 774190-46-4

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) 2.31 7.35 -41.36 2 3 1 39 255.341 7 ↓
Hi High (pH 8-9.5) 2.31 5.96 -5.64 1 3 0 34 254.333 7 ↓

Vendor Notes

Note Type Comments Provided By
Warnings IRRITANT Matrix Scientific

Activity (Go SEA)

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