UCSF

ZINC19365484

Substance Information

In ZINC since Heavy atoms Benign functionality
October 31st, 2008 13 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) -1.32 -1.79 -107.3 5 4 2 56 189.303 5
Mid Mid (pH 6-8) -1.32 -4.16 -47.45 4 4 1 54 188.295 5

Vendor Notes

Note Type Comments Provided By
Warnings IRRITANT Matrix Scientific

Activity (Go SEA)

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