UCSF

ZINC20075711

Substance Information

In ZINC since Heavy atoms Benign functionality
November 16th, 2008 15 No

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) 1.06 5 -4.65 3 4 0 62 207.277 4
Mid Mid (pH 6-8) 1.06 3.59 -32.74 4 4 1 63 208.285 4
Mid Mid (pH 6-8) 1.06 3.7 -32.64 4 4 1 63 208.285 4

Vendor Notes

Note Type Comments Provided By
Warnings IRRITANT Matrix Scientific

Activity (Go SEA)

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