UCSF

ZINC43258732

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
May 10th, 2010 16 Yes

Popular Name: (1S,2R)-1-(5-bromo-2-thienyl)-1-(1-piperidyl)propan-2-amine (1S,2R)-1-(5-bromo-2-thienyl)-1-…

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) 2.87 4.3 -45.24 3 2 1 31 304.277 3 ↓
Hi High (pH 8-9.5) 2.87 6.38 -32.77 3 2 1 30 304.277 3 ↓
Hi High (pH 8-9.5) 2.87 4.61 -1.47 2 2 0 29 303.269 3 ↓
Lo Low (pH 4.5-6) 2.87 6.66 -116.96 4 2 2 32 305.285 3 ↓

Activity (Go SEA)

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