UCSF

ZINC66324188

Substance Information

In ZINC since Heavy atoms Benign functionality
August 23rd, 2011 14 Yes

CAS Number: 1256818-71-9

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) 3.13 5.39 -4.34 1 2 0 29 265.032 1
Hi High (pH 8-9.5) 3.13 4.9 -32.74 0 2 -1 27 264.024 1

Vendor Notes

Note Type Comments Provided By
Purity 95% Matrix Scientific
Warnings IRRITANT Matrix Scientific

Activity (Go SEA)

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