UCSF

ZINC02333622

Substance Information

In ZINC since Heavy atoms Benign functionality
November 8th, 2005 14 Yes

CAS Number: 56098-51-2

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) 0.63 5.55 -100.01 3 3 2 34 195.31 6
Lo Low (pH 4.5-6) 0.63 5.81 -184.48 4 3 3 35 196.318 6

Vendor Notes

Note Type Comments Provided By
Warnings IRRITANT Matrix Scientific

Activity (Go SEA)

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