UCSF

ZINC19737134

Substance Information

In ZINC since Heavy atoms Benign functionality
November 8th, 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) 1.75 5.83 -109.46 3 2 2 21 172.316 3
Mid Mid (pH 6-8) 1.75 4.32 -30.71 2 2 1 16 171.308 3
Mid Mid (pH 6-8) 1.75 3.92 -37.87 2 2 1 20 171.308 3

Vendor Notes

Note Type Comments Provided By
Warnings IRRITANT Matrix Scientific

Activity (Go SEA)

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