UCSF

ZINC37816779

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Substance Information

In ZINC since Heavy atoms Benign functionality
December 1st, 2009 18 Yes

Popular Name: [4-(cyclopropylmethyl)piperazin-1-yl]-[(2R)-2-piperidyl]methanone [4-(cyclopropylmethyl)piperazin-…

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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) 1.11 4.44 -36.55 2 4 1 40 252.382 3 ↓
Hi High (pH 8-9.5) 1.11 3.21 -7.31 1 4 0 36 251.374 3 ↓
Mid Mid (pH 6-8) 1.11 6.65 -95.32 3 4 2 41 253.39 3 ↓

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