UCSF

ZINC20601750

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
November 26th, 2008 31 Yes

Popular Name: (2S,4S)-4-[(2,6-difluorophenyl)methylamino]-N-(2-methoxyethyl)-1-(1-propyl-4-piperidyl)pyrrolidine-2 (2S,4S)-4-[(2,6-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) 2.25 7.14 -91.8 4 6 2 63 440.579 10 ↓
Mid Mid (pH 6-8) 2.25 5.97 -38.19 3 6 1 58 439.571 10 ↓
Lo Low (pH 4.5-6) 2.25 7.84 -105.56 4 6 2 59 440.579 10 ↓

Activity (Go SEA)

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