UCSF

ZINC08744017

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Substance Information

In ZINC since Heavy atoms Benign functionality
July 26th, 2007 33 No

Popular Name: 3-hydroxy-1-[2-(4-morpholinyl)ethyl]-4-(4-propoxybenzoyl)-5-(3-pyridinyl)-1,5-dihydro-2H-pyrrol-2-one 3-hydroxy-1-[2-(4-morpholinyl)et…

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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) 1.95 5.99 -60.8 0 8 -1 95 450.515 9 ↓
Mid Mid (pH 6-8) 2.40 7.63 -45.95 2 8 1 93 452.531 8 ↓
Mid Mid (pH 6-8) 1.95 8.4 -79.76 1 8 0 96 451.523 9 ↓
Lo Low (pH 4.5-6) 2.40 7.93 -121.47 3 8 2 95 453.539 8 ↓

Activity (Go SEA)

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