UCSF

ZINC21538080

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
December 6th, 2008 33 Yes

Popular Name: N-[4-[2-[2-[(2S)-2-methyl-1-piperidyl]ethylamino]-2-oxo-ethyl]phenyl]-2,3,4,5-tetrahydro-1-benzazepi N-[4-[2-[2-[(2S)-2-methyl-1-pipe…

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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) 4.72 13.13 -48.05 3 6 1 66 449.619 6 ↓
Hi High (pH 8-9.5) 4.72 10.94 -16.81 2 6 0 65 448.611 6 ↓

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

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