UCSF

ZINC01746581

Substance Information

In ZINC since Heavy atoms Benign functionality
October 8th, 2004 15 Yes

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) 3.36 0.13 -3.46 2 1 0 26 197.281 3

Vendor Notes

Note Type Comments Provided By
mp 198 MolMall (formerly Molecular Diversity Preservation International)
MP 198° Matrix Scientific
Warnings IRRITANT Matrix Scientific

Activity (Go SEA)

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