UCSF

ZINC20726770

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Substance Information

In ZINC since Heavy atoms Benign functionality
November 27th, 2008 34 Yes

Popular Name: 2-[(4S)-1-(1,3-benzodioxol-5-ylmethyl)-2,5-dioxo-imidazolidin-4-yl]-N-(1-benzyl-4-piperidyl)acetamid 2-[(4S)-1-(1,3-benzodioxol-5-ylm…

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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) 2.50 4.66 -47.46 3 9 1 105 465.53 7 ↓
Ref Reference (pH 7) 2.87 7.91 -49.2 3 9 1 101 465.53 7 ↓
Hi High (pH 8-9.5) 2.50 2.42 -13.59 2 9 0 104 464.522 7 ↓
Hi High (pH 8-9.5) 2.87 5.68 -13.49 2 9 0 100 464.522 7 ↓

Activity (Go SEA)

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