UCSF

ZINC19220518

Substance Information

In ZINC since Heavy atoms Benign functionality
October 28th, 2008 18 Yes

CAS Number: 345621-27-4

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) 3.56 7.89 -59.26 1 3 0 54 241.29 1

Vendor Notes

Note Type Comments Provided By
MP >300° Matrix Scientific
Warnings IRRITANT Matrix Scientific

Activity (Go SEA)

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