UCSF

ZINC65527659

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
July 19th, 2011 25 Yes

Popular Name: 2-(3,5-dihydro-2H-1,4-benzoxazepin-4-yl)-N-[(1-methylimidazol-2-yl)methyl]-N-propyl-acetamide 2-(3,5-dihydro-2H-1,4-benzoxazep…

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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) 1.40 10.16 -90.38 2 6 2 53 344.459 6 ↓
Hi High (pH 8-9.5) 1.40 7.76 -17.39 0 6 0 51 342.443 6 ↓
Mid Mid (pH 6-8) 1.40 9.81 -44.15 1 6 1 52 343.451 6 ↓
Mid Mid (pH 6-8) 1.40 8.12 -35.41 1 6 1 52 343.451 6 ↓

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Rings

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

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