UCSF

ZINC20572771

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Substance Information

In ZINC since Heavy atoms Benign functionality
November 25th, 2008 29 Yes

Popular Name: 3,5-dimethyl-N-[(1S)-1-methyl-2-oxo-2-spiro[1,5,6,7-tetrahydroimidazo[4,5-c]pyridine-4,4'-piperidine 3,5-dimethyl-N-[(1S)-1-methyl-2-…

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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) 2.05 4.24 -45.48 4 7 1 95 396.515 3 ↓
Ref Reference (pH 7) 2.05 4.28 -45.23 4 7 1 95 396.515 3 ↓
Hi High (pH 8-9.5) 2.05 3.81 -17.97 3 7 0 94 395.507 3 ↓
Hi High (pH 8-9.5) 1.99 6.32 -13.76 3 7 0 90 395.507 3 ↓
Hi High (pH 8-9.5) 1.99 6.35 -13.49 3 7 0 90 395.507 3 ↓
Hi High (pH 8-9.5) 2.05 3.77 -16.77 3 7 0 94 395.507 3 ↓
Mid Mid (pH 6-8) 1.99 7.44 -55.82 4 7 1 95 396.515 3 ↓
Mid Mid (pH 6-8) 2.05 4.97 -57.45 4 7 1 98 396.515 3 ↓
Mid Mid (pH 6-8) 1.99 6.79 -42.05 4 7 1 91 396.515 3 ↓
Mid Mid (pH 6-8) 2.05 4.96 -56.74 4 7 1 98 396.515 3 ↓
Lo Low (pH 4.5-6) 1.99 7.98 -114.89 5 7 2 96 397.523 3 ↓

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