UCSF

ZINC00570767

Substance Information

In ZINC since Heavy atoms Benign functionality
November 16th, 2005 15 Yes

CAS Number: 1049784-50-0

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) 1.78 6.42 -45.29 2 2 1 29 219.333 4
Mid Mid (pH 6-8) 1.78 5.07 -5.87 1 2 0 25 218.325 4

Vendor Notes

Note Type Comments Provided By
Warnings IRRITANT Matrix Scientific

Activity (Go SEA)

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