UCSF

ZINC67741884

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
September 14th, 2011 27 Yes

Popular Name: (3R)-3-hydroxy-1-(2-methoxyethyl)-3-[[4-(3-methyl-4-pyridyl)-1,4-diazepan-1-yl]methyl]piperidin-2-on (3R)-3-hydroxy-1-(2-methoxyethyl…

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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) 0.51 8.01 -77.81 3 7 2 72 378.517 6 ↓
Hi High (pH 8-9.5) 0.51 7.48 -35.11 2 7 1 70 377.509 6 ↓

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

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