UCSF

ZINC34650865

Substance Information

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

CAS Number: 1217657-61-8

Download: MOL2 SDF SMILES Flexibase

Annotations

None

Vendors

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) 2.48 4.03 -35.98 3 4 1 63 284.763 4
Mid Mid (pH 6-8) 2.48 3.22 -6.19 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% )