UCSF

ZINC00090238

Substance Information

In ZINC since Heavy atoms Benign functionality
July 23rd, 2004 22 Yes

CAS Number: 5546-17-8

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) 3.10 6.93 -9.05 1 4 0 51 295.338 3

Vendor Notes

Note Type Comments Provided By
mechanism Serotonin release regulator ZereneX Building Blocks
biological_use Antidepressant IBScreen Bioactives IBScreen Bioactives
biological_use Psychostimulant IBScreen Bioactives
mechanism Serotonin release regulator IBScreen Bioactives

Activity (Go SEA)

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