UCSF

ZINC12397755

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Substance Information

In ZINC since Heavy atoms Benign functionality
May 12th, 2008 16 Yes

Popular Name: 3-Morpholin-4-yl-1-phenyl-propylamine 3-Morpholin-4-yl-1-phenyl-propyl…

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CAS Numbers: 1185304-25-9 , 173273-39-7

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) -0.43 2.21 -3.88 2 3 0 38 220.316 4 ↓
Lo Low (pH 4.5-6) -0.43 4.82 -121.55 4 3 2 41 222.332 4 ↓
Lo Low (pH 4.5-6) -0.43 4.48 -38.49 3 3 1 40 221.324 4 ↓

Vendor Notes

Note Type Comments Provided By
Warnings IRRITANT Matrix Scientific

Activity (Go SEA)

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