UCSF

ZINC64549990

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
June 21st, 2011 34 Yes

Popular Name: [4-[(1R)-7-benzyloxy-1-hydroxy-1,2,4,5-tetrahydro-3-benzazepin-3-yl]-1-piperidyl]-phenyl-methanone [4-[(1R)-7-benzyloxy-1-hydroxy-1…

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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) 3.76 11.94 -52.19 2 5 1 54 457.594 5 ↓
Hi High (pH 8-9.5) 3.76 10.11 -13.14 1 5 0 53 456.586 5 ↓

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

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