UCSF

ZINC67490080

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
September 10th, 2011 28 Yes

Popular Name: (3R)-1-[(2,3-dimethoxyphenyl)methyl]-3-hydroxy-3-[(4-methyl-1,4-diazepan-1-yl)methyl]piperidin-2-one (3R)-1-[(2,3-dimethoxyphenyl)met…

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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) 0.90 6.79 -29.9 2 7 1 67 392.52 6 ↓
Hi High (pH 8-9.5) 0.90 6.07 -10.06 1 7 0 65 391.512 6 ↓
Lo Low (pH 4.5-6) 0.90 8.77 -111.55 3 7 2 68 393.528 6 ↓

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

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