UCSF

ZINC13282545

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
June 14th, 2008 28 No

Popular Name: (NZ)-N-[anilino-[[4-(methoxymethyl)-6-oxo-3H-pyrimidin-2-yl]amino]methylene]benzamide (NZ)-N-[anilino-[[4-(methoxymeth…

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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) 2.90 8.82 -65.01 2 8 -1 111 376.396 7 ↓
Hi High (pH 8-9.5) 2.90 10.67 -39.86 2 8 -1 111 376.396 7 ↓
Hi High (pH 8-9.5) 3.11 10.58 -46.56 2 8 -1 115 376.396 6 ↓
Hi High (pH 8-9.5) 3.11 9.9 -42.25 2 8 -1 115 376.396 6 ↓
Hi High (pH 8-9.5) 3.11 7.11 -118.42 1 8 -2 117 375.388 6 ↓
Hi High (pH 8-9.5) 3.11 6.69 -59.63 2 8 -1 115 376.396 6 ↓
Hi High (pH 8-9.5) 3.11 6.24 -125.16 1 8 -2 117 375.388 6 ↓
Mid Mid (pH 6-8) 2.90 11.62 -11.17 3 8 0 108 377.404 7 ↓
Mid Mid (pH 6-8) 2.90 9.8 -25.92 3 8 0 108 377.404 7 ↓
Mid Mid (pH 6-8) 2.90 11.01 -17.27 3 8 0 108 377.404 7 ↓
Mid Mid (pH 6-8) 2.90 9.74 -13.71 3 8 0 108 377.404 7 ↓

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

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