UCSF

ZINC02565469

Substance Information

In ZINC since Heavy atoms Benign functionality
October 14th, 2005 18 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) 2.18 3.03 -9.68 3 4 0 72 262.334 3
Hi High (pH 8-9.5) 2.18 3.09 -48.64 2 4 -1 74 261.326 3

Vendor Notes

Note Type Comments Provided By
Warnings IRRITANT Matrix Scientific

Activity (Go SEA)

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