UCSF

ZINC37090098

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Substance Information

In ZINC since Heavy atoms Benign functionality
November 20th, 2009 21 Yes

Popular Name: 1-ethyl-N-[(3S)-1-pyrimidin-2-yl-3-piperidyl]piperidin-4-amine 1-ethyl-N-[(3S)-1-pyrimidin-2-yl…

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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) 1.73 8.82 -36.12 2 5 1 45 290.435 4 ↓
Hi High (pH 8-9.5) 1.73 6.58 -5.91 1 5 0 44 289.427 4 ↓
Lo Low (pH 4.5-6) 1.73 9.8 -105.01 3 5 2 50 291.443 4 ↓
Lo Low (pH 4.5-6) 1.73 7.56 -40.52 2 5 1 49 290.435 4 ↓

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