UCSF

ZINC53926690

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
November 27th, 2010 16 No

Popular Name: (2R,4S)-4-methyl-2-[[methyl-[(3R)-tetrahydrothiophen-3-yl]amino]methyl]cyclohexanone (2R,4S)-4-methyl-2-[[methyl-[(3R…

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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) 1.95 8.92 -38.49 1 2 1 22 242.408 3 ↓
Hi High (pH 8-9.5) 1.95 7.1 -6.39 0 2 0 20 241.4 3 ↓

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

No pre-computed analogs available. Try a structural similarity search.