UCSF

ZINC53932177

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Substance Information

In ZINC since Heavy atoms Benign functionality
November 27th, 2010 18 Yes

Popular Name: (1S)-N-ethyl-3-morpholino-1-phenyl-propan-1-amine (1S)-N-ethyl-3-morpholino-1-phen…

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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) 1.30 4.06 -3.16 1 3 0 24 248.37 6 ↓
Mid Mid (pH 6-8) 1.30 6.36 -38.77 2 3 1 26 249.378 6 ↓
Mid Mid (pH 6-8) 1.30 5.09 -39.72 2 3 1 29 249.378 6 ↓
Lo Low (pH 4.5-6) 1.30 7.37 -114.3 3 3 2 30 250.386 6 ↓

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Rings

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

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