UCSF

ZINC62035247

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
April 23rd, 2011 20 Yes

Popular Name: (2S)-2-[[4-(pyrrolidin-1-ylmethyl)-1-piperidyl]methyl]cyclohexanone (2S)-2-[[4-(pyrrolidin-1-ylmethy…

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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) 2.50 11.07 -91.2 2 3 2 26 280.456 4 ↓
Hi High (pH 8-9.5) 2.50 9.29 -35.57 1 3 1 25 279.448 4 ↓

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

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