UCSF

ZINC52547554

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
November 11th, 2010 17 Yes

Popular Name: (2R)-N-[(5-bromo-3-thienyl)methyl]-N'-cyclopropyl-N,2-dimethyl-propane-1,3-diamine (2R)-N-[(5-bromo-3-thienyl)methy…

Find On: PubMed — Wikipedia — Google

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) 3.16 6.95 -36.88 2 2 1 20 318.304 7 ↓
Mid Mid (pH 6-8) 3.16 9.02 -105.55 3 2 2 21 319.312 7 ↓

Activity (Go SEA)

Rings

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

No pre-computed analogs available. Try a structural similarity search.