UCSF

ZINC19807790

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
November 10th, 2008 17 Yes

Popular Name: [(1S,3S)-1-[(3S,5R)-3,5-dimethyl-1-piperidyl]-3-methyl-cyclohexyl]methanamine [(1S,3S)-1-[(3S,5R)-3,5-dimethyl…

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Download: MOL2 SDF SMILES Flexibase

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) 2.75 7.32 -114.64 4 2 2 32 240.435 2 ↓
Hi High (pH 8-9.5) 2.75 5.97 -45.27 3 2 1 31 239.427 2 ↓
Hi High (pH 8-9.5) 2.75 7 -27.29 3 2 1 30 239.427 2 ↓

Activity (Go SEA)

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