UCSF

ZINC23358761

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Substance Information

In ZINC since Heavy atoms Benign functionality
December 30th, 2008 29 Yes

Popular Name: (2S,4R)-4-[(3,4-difluorophenyl)methylamino]-N-ethyl-1-(1-propyl-4-piperidyl)pyrrolidine-2-carboxamid (2S,4R)-4-[(3,4-difluorophenyl)m…

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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) 2.67 8.42 -112.03 4 5 2 53 410.553 8 ↓
Mid Mid (pH 6-8) 2.67 7.28 -41.71 3 5 1 49 409.545 8 ↓
Lo Low (pH 4.5-6) 2.67 9.17 -109.64 4 5 2 50 410.553 8 ↓

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