UCSF

ZINC70194517

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
November 6th, 2011 19 Yes

Popular Name: 2-[(2S)-1-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)-2-piperidyl]-N-methyl-ethanamine 2-[(2S)-1-(6,7-dihydro-5H-cyclop…

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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) 2.06 7.67 -40.15 2 4 1 46 261.393 4 ↓
Mid Mid (pH 6-8) 2.06 8.1 -88.13 3 4 2 47 262.401 4 ↓

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

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