UCSF

ZINC21948219

Substance Information

In ZINC since Heavy atoms Benign functionality
December 11th, 2008 19 No

CAS Number: 1019111-18-2

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) 2.24 5.03 -54.89 2 5 -1 88 277.325 5
Mid Mid (pH 6-8) 2.24 5.41 -55.34 3 5 0 90 278.333 5

Vendor Notes

Note Type Comments Provided By
Warnings IRRITANT Matrix Scientific

Activity (Go SEA)

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