UCSF

ZINC53927290

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
November 27th, 2010 16 Yes

Popular Name: (2S)-2-[[methyl(3-pyridylmethyl)amino]methyl]cyclopentanone (2S)-2-[[methyl(3-pyridylmethyl)…

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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) 0.95 7.04 -44.33 1 3 1 34 219.308 4 ↓
Mid Mid (pH 6-8) 0.95 4.85 -6.63 0 3 0 33 218.3 4 ↓

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Rings

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

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