UCSF

ZINC71575291

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
December 11th, 2011 29 Yes

Popular Name: 5-[[(3S)-4-benzyl-3-ethyl-5-oxo-1,4-diazepan-1-yl]methyl]-2-methyl-4H-pyrazolo[1,5-a]pyrimidin-7-one 5-[[(3S)-4-benzyl-3-ethyl-5-oxo-…

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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) 2.25 9.56 -28.94 1 7 0 74 393.491 5 ↓
Hi High (pH 8-9.5) 2.71 9.02 -51.86 0 7 -1 77 392.483 5 ↓
Lo Low (pH 4.5-6) 2.71 10.13 -63.17 1 7 0 78 393.491 5 ↓

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

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