UCSF

ZINC35499566

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
October 8th, 2009 32 Yes

Popular Name: N-[[1-[(2-fluorophenyl)methyl]pyrrol-2-yl]methyl]-N-[(3-methoxyphenyl)methyl]-2-morpholino-ethanamin N-[[1-[(2-fluorophenyl)methyl]py…

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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) 3.98 10.13 -9.67 0 5 0 30 437.559 10 ↓
Mid Mid (pH 6-8) 3.98 11.24 -48.95 1 5 1 31 438.567 10 ↓
Lo Low (pH 4.5-6) 3.98 12.24 -50.11 1 5 1 31 438.567 10 ↓

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

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