UCSF

ZINC43262070

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Substance Information

In ZINC since Heavy atoms Benign functionality
May 10th, 2010 17 Yes

Popular Name: (1R,2R)-1-(5-bromo-2-thienyl)-N1-[(1R)-2-methoxy-1-methyl-ethyl]-N1-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) 2.28 4.18 -30.03 3 3 1 40 322.292 6 ↓
Hi High (pH 8-9.5) 2.28 2.21 -4.33 2 3 0 38 321.284 6 ↓
Mid Mid (pH 6-8) 2.28 2.46 -45.69 3 3 1 40 322.292 6 ↓
Mid Mid (pH 6-8) 2.28 4.48 -106.33 4 3 2 41 323.3 6 ↓

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