UCSF

ZINC19404977

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Substance Information

In ZINC since Heavy atoms Benign functionality
October 31st, 2008 16 Yes

Popular Name: (2S)-2-(5-bromo-2-thienyl)-2-[(3S)-3-methyl-1-piperidyl]ethanamine (2S)-2-(5-bromo-2-thienyl)-2-[(3…

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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) 2.71 4.45 -51.63 3 2 1 31 304.277 3 ↓
Lo Low (pH 4.5-6) 2.71 6.63 -129.5 4 2 2 32 305.285 3 ↓

Activity (Go SEA)

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