UCSF

ZINC37818457

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Substance Information

In ZINC since Heavy atoms Benign functionality
December 1st, 2009 21 Yes

Popular Name: [(2R,4S)-4-hydroxypyrrolidin-2-yl]-[4-(3-pyridylmethyl)piperazin-1-yl]methanone [(2R,4S)-4-hydroxypyrrolidin-2-y…

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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) -1.02 -0.19 -43.32 3 6 1 73 291.375 3 ↓
Mid Mid (pH 6-8) -1.02 2.03 -105.25 4 6 2 74 292.383 3 ↓

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