UCSF

ZINC17139058

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Substance Information

In ZINC since Heavy atoms Benign functionality
September 15th, 2008 28 No

Popular Name: 3-hydroxy-1-(2-methoxyethyl)-4-(4-methoxy-3-methylbenzoyl)-5-pyridin-3-yl-1,5-dihydro-2H-pyrrol-2-one 3-hydroxy-1-(2-methoxyethyl)-4-(…

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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) 1.56 5.81 -65.13 0 7 -1 92 381.408 7 ↓
Mid Mid (pH 6-8) 0.98 5.94 -14.62 0 7 0 86 382.416 7 ↓
Mid Mid (pH 6-8) 1.56 5.58 -13.98 1 7 0 89 382.416 7 ↓
Lo Low (pH 4.5-6) 1.56 5.87 -43.53 2 7 1 90 383.424 7 ↓
Lo Low (pH 4.5-6) 0.98 6.22 -49.95 1 7 1 87 383.424 7 ↓

Activity (Go SEA)

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