UCSF

ZINC19737865

Substance Information

In ZINC since Heavy atoms Benign functionality
November 8th, 2008 25 Yes

CAS Number: 1040690-43-4

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) 5.27 13.17 -38.74 2 2 1 26 332.467 8
Hi High (pH 8-9.5) 5.27 11.82 -4.24 1 2 0 21 331.459 8

Vendor Notes

Note Type Comments Provided By
Warnings IRRITANT Matrix Scientific

Activity (Go SEA)

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