UCSF

ZINC22781217

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Substance Information

In ZINC since Heavy atoms Benign functionality
December 20th, 2008 30 Yes

Popular Name: N-[[4-(morpholinomethyl)phenyl]methyl]-2-[4-(2-thienylmethyl)piperazin-1-yl]acetamide N-[[4-(morpholinomethyl)phenyl]m…

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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) 2.19 6.18 -42.41 2 6 1 49 429.61 8 ↓
Hi High (pH 8-9.5) 2.19 3.96 -11.05 1 6 0 48 428.602 8 ↓
Mid Mid (pH 6-8) 2.19 6.43 -38.67 2 6 1 49 429.61 8 ↓
Lo Low (pH 4.5-6) 2.19 8.54 -88.78 3 6 2 50 430.618 8 ↓
Lo Low (pH 4.5-6) 2.19 8.69 -83.94 3 6 2 50 430.618 8 ↓

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