UCSF

ZINC20573751

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Substance Information

In ZINC since Heavy atoms Benign functionality
November 25th, 2008 30 Yes

Popular Name: 2-(4-chlorophenoxy)-N-[(1S)-1-methyl-2-oxo-2-spiro[1,5,6,7-tetrahydroimidazo[4,5-c]pyridine-4,4'-pip 2-(4-chlorophenoxy)-N-[(1S)-1-me…

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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) 1.81 6.59 -43.58 4 8 1 101 432.932 5 ↓
Hi High (pH 8-9.5) 1.81 6.13 -17.09 3 8 0 99 431.924 5 ↓
Hi High (pH 8-9.5) 1.99 2.37 -22.93 3 8 0 103 431.924 5 ↓
Hi High (pH 8-9.5) 1.99 2.34 -21.7 3 8 0 103 431.924 5 ↓
Hi High (pH 8-9.5) 1.81 6.09 -16.41 3 8 0 99 431.924 5 ↓
Mid Mid (pH 6-8) 1.81 7.27 -56.72 4 8 1 104 432.932 5 ↓
Mid Mid (pH 6-8) 1.99 3.52 -60.72 4 8 1 107 432.932 5 ↓
Mid Mid (pH 6-8) 1.81 7.73 -117.77 5 8 2 105 433.94 5 ↓
Mid Mid (pH 6-8) 1.99 3.51 -59.67 4 8 1 107 432.932 5 ↓
Mid Mid (pH 6-8) 1.81 6.56 -43.73 4 8 1 101 432.932 5 ↓

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