UCSF

ZINC19427635

Substance Information

In ZINC since Heavy atoms Benign functionality
November 1st, 2008 12 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) 1.61 4.28 -33.01 2 2 1 16 171.308 4
Mid Mid (pH 6-8) 1.61 3.37 -39.08 2 2 1 20 171.308 4
Lo Low (pH 4.5-6) 1.61 5.7 -99.72 3 2 2 21 172.316 4

Vendor Notes

Note Type Comments Provided By
Warnings IRRITANT Matrix Scientific

Activity (Go SEA)

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