UCSF

ZINC53932174

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Substance Information

In ZINC since Heavy atoms Benign functionality
November 27th, 2010 17 Yes

Popular Name: (1S)-N-methyl-3-morpholino-1-phenyl-propan-1-amine (1S)-N-methyl-3-morpholino-1-phe…

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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) 0.92 3.13 -3.34 1 3 0 24 234.343 5 ↓
Mid Mid (pH 6-8) 0.92 4.25 -41.36 2 3 1 29 235.351 5 ↓
Lo Low (pH 4.5-6) 0.92 5.41 -38.56 2 3 1 26 235.351 5 ↓
Lo Low (pH 4.5-6) 0.92 6.53 -115.06 3 3 2 30 236.359 5 ↓

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

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