UCSF

ZINC19721950

Substance Information

In ZINC since Heavy atoms Benign functionality
November 7th, 2008 16 Yes

CAS Numbers: 303010-02-8 , 641993-15-9

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) 1.85 4.54 -46.16 1 4 -1 74 216.216 1
Lo Low (pH 4.5-6) 1.85 4.83 -34.64 2 4 0 76 217.224 1

Vendor Notes

Note Type Comments Provided By
Warnings IRRITANT Matrix Scientific

Activity (Go SEA)

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