UCSF

ZINC23067002

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
December 24th, 2008 14 Yes

Popular Name: (1R,2S,4S)-4-ethyl-2-pyrrolidin-1-yl-cyclohexan-1-amine (1R,2S,4S)-4-ethyl-2-pyrrolidin-…

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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) 1.70 5.94 -118.54 4 2 2 32 198.354 2 ↓
Hi High (pH 8-9.5) 1.70 3.79 -39.03 3 2 1 31 197.346 2 ↓

Activity (Go SEA)

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