UCSF

ZINC63012734

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Substance Information

In ZINC since Heavy atoms Benign functionality
May 22nd, 2011 19 Yes

Popular Name: 4-[2-[(3S)-3-piperidyl]ethyl]-3,5-dihydro-2H-1,4-benzoxazepine 4-[2-[(3S)-3-piperidyl]ethyl]-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) 2.09 7.75 -97.31 3 3 2 30 262.397 3 ↓
Hi High (pH 8-9.5) 2.09 5.66 -41.62 2 3 1 29 261.389 3 ↓

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

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