UCSF

ZINC23362379

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Substance Information

In ZINC since Heavy atoms Benign functionality
December 30th, 2008 31 Yes

Popular Name: (2S,4R)-N-ethyl-1-(1-propyl-4-piperidyl)-4-[[2-(trifluoromethyl)phenyl]methylamino]pyrrolidine-2-car (2S,4R)-N-ethyl-1-(1-propyl-4-pi…

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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) 3.26 8.57 -37.86 3 5 1 49 441.562 9 ↓
Mid Mid (pH 6-8) 3.26 9.38 -103.94 4 5 2 53 442.57 9 ↓
Mid Mid (pH 6-8) 3.26 8.26 -36.91 3 5 1 49 441.562 9 ↓
Lo Low (pH 4.5-6) 3.26 10.49 -102.44 4 5 2 50 442.57 9 ↓

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Rings

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