UCSF

ZINC19737430

Substance Information

In ZINC since Heavy atoms Benign functionality
November 8th, 2008 10 No

CAS Number: 218964-40-0

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) 0.48 0.33 -30.33 4 3 1 51 145.226 1
Hi High (pH 8-9.5) 0.48 -1.26 -5.08 3 3 0 49 144.218 1

Vendor Notes

Note Type Comments Provided By
Warnings IRRITANT Matrix Scientific

Activity (Go SEA)

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