UCSF

ZINC19472454

Substance Information

In ZINC since Heavy atoms Benign functionality
November 2nd, 2008 19 No

CAS Number: 1225071-50-0

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) 0.75 4.97 -33.21 2 4 0 66 293.266 4
Hi High (pH 8-9.5) 0.75 3.9 -48.47 1 4 -1 61 292.258 4

Vendor Notes

Note Type Comments Provided By
Warnings IRRITANT Matrix Scientific

Activity (Go SEA)

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