UCSF

ZINC32522366

Substance Information

In ZINC since Heavy atoms Benign functionality
May 2nd, 2009 17 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) 1.56 5.75 -118.64 4 3 2 41 236.359 5
Hi High (pH 8-9.5) 1.56 3.32 -45.04 3 3 1 40 235.351 5
Mid Mid (pH 6-8) 1.56 5.4 -33.94 3 3 1 40 235.351 5

Vendor Notes

Note Type Comments Provided By
Warnings IRRITANT Matrix Scientific

Activity (Go SEA)

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