UCSF

ZINC49574995

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
October 6th, 2010 20 Yes

Popular Name: N-[(R)-cyclopropyl-(4-fluorophenyl)methyl]-2-(1-piperidyl)ethanamine N-[(R)-cyclopropyl-(4-fluorophen…

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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) 3.65 10.33 -126.92 3 2 2 21 278.415 6 ↓
Mid Mid (pH 6-8) 3.65 9.28 -37.41 2 2 1 16 277.407 6 ↓

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Rings

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

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