UCSF

ZINC19737112

Substance Information

In ZINC since Heavy atoms Benign functionality
November 8th, 2008 16 Yes

CAS Number: 933752-43-3

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) -1.00 7.1 -51.91 0 4 -1 60 222.195 2
Lo Low (pH 4.5-6) -1.00 5.02 -13.81 1 4 0 58 223.203 2
Lo Low (pH 4.5-6) -1.00 5.12 -12.28 1 4 0 58 223.203 2

Vendor Notes

Note Type Comments Provided By
Warnings IRRITANT Matrix Scientific

Activity (Go SEA)

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