UCSF

ZINC35499749

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Substance Information

In ZINC since Heavy atoms Benign functionality
October 8th, 2009 35 Yes

Popular Name: N-[(3-methoxyphenyl)methyl]-2-morpholino-N-[[1-[[3-(trifluoromethyl)phenyl]methyl]pyrrol-2-yl]methyl N-[(3-methoxyphenyl)methyl]-2-mo…

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Download: MOL2 SDF SMILES Flexibase

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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) 4.74 11.17 -8.29 0 5 0 30 487.566 11 ↓
Mid Mid (pH 6-8) 4.74 12.27 -50.77 1 5 1 31 488.574 11 ↓
Lo Low (pH 4.5-6) 4.74 13.42 -35.49 1 5 1 31 488.574 11 ↓

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

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