UCSF

ZINC43243136

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Substance Information

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

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

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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) 2.09 3.85 -39.96 3 4 1 49 315.503 10 ↓
Mid Mid (pH 6-8) 2.09 5.9 -27.37 3 4 1 49 315.503 10 ↓
Mid Mid (pH 6-8) 2.09 6.17 -97.92 4 4 2 51 316.511 10 ↓

Activity (Go SEA)

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