UCSF

ZINC19505286

Substance Information

In ZINC since Heavy atoms Benign functionality
November 2nd, 2008 18 Yes

CAS Number: 1246172-81-5

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) 1.62 6.34 -40.64 3 3 1 48 245.346 7
Mid Mid (pH 6-8) 1.62 6.01 -8.22 2 3 0 46 244.338 7

Vendor Notes

Note Type Comments Provided By
Warnings IRRITANT Matrix Scientific

Activity (Go SEA)

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