UCSF

ZINC43258729

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Substance Information

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

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

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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 4.37 -43 3 2 1 31 304.277 3 ↓
Hi High (pH 8-9.5) 2.87 6.6 -33.1 3 2 1 30 304.277 3 ↓
Hi High (pH 8-9.5) 2.87 4.08 -1.97 2 2 0 29 303.269 3 ↓
Lo Low (pH 4.5-6) 2.87 6.94 -115.14 4 2 2 32 305.285 3 ↓

Activity (Go SEA)

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