UCSF

ZINC62874396

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
May 17th, 2011 19 Yes

Popular Name: (3S)-1-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)-3-methyl-piperidine-3-carboxylic (3S)-1-(6,7-dihydro-5H-cyclopent…

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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) 1.38 8.9 -48.62 0 5 -1 69 260.317 2 ↓
Mid Mid (pH 6-8) 1.38 9.34 -61.21 1 5 0 70 261.325 2 ↓

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

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