UCSF

ZINC09361244

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Substance Information

In ZINC since Heavy atoms Benign functionality
August 23rd, 2007 34 No

Popular Name: 4-[4-(benzyloxy)benzoyl]-3-hydroxy-1-(3-methoxypropyl)-5-(4-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) 3.00 9.92 -58.14 0 7 -1 92 457.506 10 ↓
Mid Mid (pH 6-8) 3.44 8.67 -21.53 1 7 0 89 458.514 9 ↓
Mid Mid (pH 6-8) 2.41 -0.87 -15.51 0 7 0 85 458.514 10 ↓
Lo Low (pH 4.5-6) 3.44 8.97 -63.97 2 7 1 90 459.522 9 ↓
Lo Low (pH 4.5-6) 2.41 -0.76 -46.89 1 7 1 87 459.522 10 ↓

Activity (Go SEA)

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