UCSF

ZINC43254086

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Substance Information

In ZINC since Heavy atoms Benign functionality
May 10th, 2010 21 Yes

Popular Name: (1S,2S)-1-(5-chloro-2-thienyl)-N1-(2-methoxyethyl)-N1-[(1S)-2-methoxy-1-methyl-ethyl]butane-1,2-diam (1S,2S)-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) 2.67 3.49 -40.15 3 4 1 49 335.921 10 ↓
Mid Mid (pH 6-8) 2.67 5.02 -30.46 3 4 1 49 335.921 10 ↓
Mid Mid (pH 6-8) 2.67 5.28 -108.52 4 4 2 51 336.929 10 ↓

Activity (Go SEA)

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