UCSF

ZINC02539618

Substance Information

In ZINC since Heavy atoms Benign functionality
October 27th, 2004 30 Yes

CAS Number: 54-28-4

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) 8.98 15.35 -4.46 1 2 0 29 416.69 12

Vendor Notes

Note Type Comments Provided By
Target Sodium-dependent dopamine transporter(Q01959) Herbal Ingredients Targets

Activity (Go SEA)

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