UCSF

ZINC09242602

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Substance Information

In ZINC since Heavy atoms Benign functionality
August 15th, 2007 33 No

Popular Name: 4-[4-(benzyloxy)benzoyl]-3-hydroxy-1-(2-methoxyethyl)-5-(3-pyridinyl)-1,5-dihydro-2H-pyrrol-2-one 4-[4-(benzyloxy)benzoyl]-3-hydro…

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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) 2.78 9.22 -60.23 0 7 -1 92 443.479 9 ↓
Mid Mid (pH 6-8) 3.22 8.03 -25.28 1 7 0 89 444.487 8 ↓
Mid Mid (pH 6-8) 2.19 -1.04 -16.11 0 7 0 85 444.487 9 ↓
Lo Low (pH 4.5-6) 2.19 -0.93 -47.81 1 7 1 87 445.495 9 ↓
Lo Low (pH 4.5-6) 3.22 8.33 -64.21 2 7 1 90 445.495 8 ↓

Activity (Go SEA)

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