UCSF

ZINC55016217

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Substance Information

In ZINC since Heavy atoms Benign functionality
December 10th, 2010 20 Yes

Popular Name: (1S)-N-methyl-1-phenyl-N-[2-(4-pyridyl)ethyl]propane-1,3-diamine (1S)-N-methyl-1-phenyl-N-[2-(4-p…

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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) 1.51 5.36 -50.59 3 3 1 44 270.4 7 ↓
Mid Mid (pH 6-8) 1.51 5.82 -98.42 4 3 2 45 271.408 7 ↓
Lo Low (pH 4.5-6) 1.51 7.65 -120.23 4 3 2 45 271.408 7 ↓

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

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