UCSF

ZINC67921086

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Substance Information

In ZINC since Heavy atoms Benign functionality
September 17th, 2011 28 Yes

Popular Name: (3R)-N-[2-(methylamino)ethyl]-1-(2-phenyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)piperidine-3-ca (3R)-N-[2-(methylamino)ethyl]-1-…

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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) 2.89 9.21 -50.72 3 6 1 75 380.516 6 ↓
Hi High (pH 8-9.5) 2.89 7.77 -12.42 2 6 0 70 379.508 6 ↓
Mid Mid (pH 6-8) 2.89 9.53 -77.59 4 6 2 76 381.524 6 ↓

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