UCSF

ZINC36964599

Substance Information

In ZINC since Heavy atoms Benign functionality
November 18th, 2009 13 Yes

CAS Numbers: 912284-73-2 , N/A

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) 1.27 2.03 -3.61 3 3 0 49 180.251 3

Vendor Notes

Note Type Comments Provided By
Warnings IRRITANT Matrix Scientific

Activity (Go SEA)

Rings

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