UCSF

ZINC34650881

Substance Information

In ZINC since Heavy atoms Benign functionality
September 18th, 2009 19 Yes

CAS Number: 1217733-33-9

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) 2.52 4.26 -41.51 3 4 1 63 284.763 4
Hi High (pH 8-9.5) 2.52 3.32 -7.18 2 4 0 59 283.755 4

Vendor Notes

Note Type Comments Provided By
Warnings IRRITANT Matrix Scientific

Activity (Go SEA)

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