UCSF

ZINC34925580

Substance Information

In ZINC since Heavy atoms Benign functionality
October 1st, 2009 15 Yes

CAS Number: 855165-89-8

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) 0.84 4.78 -49.89 1 4 -1 69 204.205 1
Lo Low (pH 4.5-6) 0.84 2.84 -11.29 2 4 0 66 205.213 1

Vendor Notes

Note Type Comments Provided By
MP 223-225° Matrix Scientific
Warnings IRRITANT Matrix Scientific

Activity (Go SEA)

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