UCSF

ZINC22658535

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
December 18th, 2008 37 Yes

Popular Name: 5-[(4-tert-butylphenyl)methoxy]-2-[[4-[2-(4-fluorophenyl)acetyl]-1,4-diazepan-1-yl]methyl]pyran-4-on 5-[(4-tert-butylphenyl)methoxy]-…

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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) 4.61 16.67 -70.38 1 6 1 64 507.626 8 ↓
Hi High (pH 8-9.5) 4.61 14.21 -26.17 0 6 0 63 506.618 8 ↓

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

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