UCSF

ZINC35499682

Draw Identity 99% 90% 80% 70%

Substance Information

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

Popular Name: N-[[1-[(3-methoxyphenyl)methyl]pyrrol-2-yl]methyl]-2-morpholino-N-(p-tolylmethyl)ethanamine N-[[1-[(3-methoxyphenyl)methyl]p…

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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) 4.31 10.81 -6.95 0 5 0 30 433.596 10 ↓
Mid Mid (pH 6-8) 4.31 11.92 -44.19 1 5 1 31 434.604 10 ↓
Lo Low (pH 4.5-6) 4.31 13.09 -34.66 1 5 1 31 434.604 10 ↓

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

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