UCSF

ZINC49575028

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
October 6th, 2010 19 Yes

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

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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) 3.49 10.28 -119.57 3 2 2 21 260.425 6 ↓
Mid Mid (pH 6-8) 3.49 9.21 -34.37 2 2 1 16 259.417 6 ↓

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

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