UCSF

ZINC67513900

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
September 10th, 2011 28 No

Popular Name: N-[[2-(4-methylpiperazin-1-yl)-3-pyridyl]methyl]-1-benzoxepine-4-carboxamide N-[[2-(4-methylpiperazin-1-yl)-3…

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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) 2.46 9.77 -39.22 2 6 1 63 377.468 4 ↓
Hi High (pH 8-9.5) 2.46 7.44 -11.78 1 6 0 62 376.46 4 ↓
Mid Mid (pH 6-8) 2.46 7.91 -41.79 2 6 1 63 377.468 4 ↓
Mid Mid (pH 6-8) 2.46 10.25 -98.88 3 6 2 64 378.476 4 ↓

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Rings

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

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