UCSF

ZINC19738175

Substance Information

In ZINC since Heavy atoms Benign functionality
November 8th, 2008 13 Yes

CAS Number: 59731-93-0

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) 3.11 5.13 -4.07 1 2 0 21 179.263 5

Vendor Notes

Note Type Comments Provided By
BP 145-147°/13 Torr Matrix Scientific
Warnings IRRITANT Matrix Scientific

Activity (Go SEA)

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