UCSF

ZINC20779168

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
November 28th, 2008 30 Yes

Popular Name: (2S,4S)-4-[(2,4-difluorophenyl)methylamino]-N-isopropyl-1-(1-propyl-4-piperidyl)pyrrolidine-2-carbox (2S,4S)-4-[(2,4-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) 2.96 8.9 -114.77 4 5 2 53 424.58 8 ↓
Mid Mid (pH 6-8) 2.96 7.74 -46.01 3 5 1 49 423.572 8 ↓
Mid Mid (pH 6-8) 2.97 7.32 -38.73 3 5 1 49 423.572 8 ↓

Activity (Go SEA)

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