UCSF

ZINC41652473

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
April 21st, 2010 21 Yes

Popular Name: 7-amino-1-[2-(4-pyridyl)ethyl]-4,5-dihydro-3H-1-benzazepin-2-one 7-amino-1-[2-(4-pyridyl)ethyl]-4…

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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) 1.04 6.88 -8.97 2 4 0 59 281.359 3 ↓
Lo Low (pH 4.5-6) 1.04 7.34 -35.75 3 4 1 60 282.367 3 ↓

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

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