UCSF

ZINC20126804

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
November 16th, 2008 16 Yes

Popular Name: (1S)-1-phenyl-N-(2-pyrrolidin-1-ylethyl)ethanamine (1S)-1-phenyl-N-(2-pyrrolidin-1-…

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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) 2.49 5.85 -39.16 2 2 1 20 219.352 5 ↓
Hi High (pH 8-9.5) 2.49 4.78 -1.67 1 2 0 15 218.344 5 ↓
Mid Mid (pH 6-8) 2.49 8.33 -114.62 3 2 2 21 220.36 5 ↓
Mid Mid (pH 6-8) 2.49 7.11 -33.51 2 2 1 16 219.352 5 ↓

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

No pre-computed analogs available. Try a structural similarity search.