UCSF

ZINC43262946

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Substance Information

In ZINC since Heavy atoms Benign functionality
May 10th, 2010 20 Yes

Popular Name: (1R,2R)-1-(5-bromo-2-thienyl)-N1-(2-methoxyethyl)-N1-[(1S)-2-methoxy-1-methyl-ethyl]propane-1,2-diam (1R,2R)-1-(5-bromo-2-thienyl)-N1…

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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) 2.26 2.77 -41.39 3 4 1 49 366.345 9 ↓
Hi High (pH 8-9.5) 2.26 2.49 -3.53 2 4 0 48 365.337 9 ↓
Lo Low (pH 4.5-6) 2.26 5.65 -106.54 4 4 2 51 367.353 9 ↓

Activity (Go SEA)

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