UCSF

ZINC43261786

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Substance Information

In ZINC since Heavy atoms Benign functionality
May 10th, 2010 19 Yes

Popular Name: (1R,2R)-1-(5-bromo-2-thienyl)-N1-ethyl-N1-[[(2S)-tetrahydrofuran-2-yl]methyl]propane-1,2-diamine (1R,2R)-1-(5-bromo-2-thienyl)-N1…

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Vendors

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 5.78 -29.65 3 3 1 40 348.33 6 ↓
Hi High (pH 8-9.5) 2.71 3.99 -2.34 2 3 0 38 347.322 6 ↓
Mid Mid (pH 6-8) 2.71 6.08 -108.68 4 3 2 41 349.338 6 ↓
Mid Mid (pH 6-8) 2.71 4.26 -45.02 3 3 1 40 348.33 6 ↓

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