UCSF

ZINC43254092

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Substance Information

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

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

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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) 2.13 2.66 -41.39 3 4 1 49 321.894 9 ↓
Hi High (pH 8-9.5) 2.13 2.36 -2.88 2 4 0 48 320.886 9 ↓
Lo Low (pH 4.5-6) 2.13 5.54 -106.14 4 4 2 51 322.902 9 ↓

Activity (Go SEA)

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