UCSF

ZINC00572529

Substance Information

In ZINC since Heavy atoms Benign functionality
November 17th, 2005 15 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) 3.35 8.01 -38.35 2 1 1 17 218.345 4
Hi High (pH 8-9.5) 3.35 6.88 -2.67 1 1 0 12 217.337 4

Vendor Notes

Note Type Comments Provided By
Warnings IRRITANT Matrix Scientific

Activity (Go SEA)

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