UCSF

ZINC13686251

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Substance Information

In ZINC since Heavy atoms Benign functionality
June 23rd, 2008 33 No

Popular Name: (5S)-4-(2,4-dimethoxybenzoyl)-5-(3-fluorophenyl)-3-hydroxy-1-(3-pyridylmethyl)-5H-pyrrol-2-one (5S)-4-(2,4-dimethoxybenzoyl)-5-…

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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) 2.72 8.95 -45.99 0 7 -1 92 447.442 7 ↓
Mid Mid (pH 6-8) 2.14 9.63 -24.56 0 7 0 86 448.45 7 ↓
Mid Mid (pH 6-8) 3.17 8.44 -29.97 1 7 0 89 448.45 6 ↓
Lo Low (pH 4.5-6) 2.72 9.24 -52.55 2 7 1 90 449.458 7 ↓
Lo Low (pH 4.5-6) 2.14 9.91 -60.13 1 7 1 87 449.458 7 ↓

Activity (Go SEA)

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