UCSF

ZINC13004457

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Substance Information

In ZINC since Heavy atoms Benign functionality
May 24th, 2008 31 No

Popular Name: 4-(4-butoxybenzoyl)-1-[2-(dimethylamino)ethyl]-3-hydroxy-5-(4-pyridinyl)-1,5-dihydro-2H-pyrrol-2-one 4-(4-butoxybenzoyl)-1-[2-(dimeth…

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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) 2.61 9.91 -73.46 1 7 0 87 423.513 10 ↓
Hi High (pH 8-9.5) 2.61 7.37 -55.72 0 7 -1 86 422.505 10 ↓
Lo Low (pH 4.5-6) 2.03 10.87 -121.61 2 7 2 82 425.529 10 ↓
Lo Low (pH 4.5-6) 2.61 9.09 -56.64 2 7 1 84 424.521 10 ↓

Activity (Go SEA)

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