UCSF

ZINC08900517

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Substance Information

In ZINC since Heavy atoms Benign functionality
August 1st, 2007 36 No

Popular Name: methyl 4-{4-hydroxy-3-(4-methoxybenzoyl)-1-[3-(4-morpholinyl)propyl]-5-oxo-2,5-dihydro-1H-pyrrol-2-yl}benzoate methyl 4-{4-hydroxy-3-(4-methoxy…

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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) 2.75 7.81 -58.45 0 9 -1 108 493.536 10 ↓
Mid Mid (pH 6-8) 2.17 9.94 -54.48 1 9 1 104 495.552 10 ↓
Mid Mid (pH 6-8) 3.20 9.96 -51.55 2 9 1 107 495.552 9 ↓
Mid Mid (pH 6-8) 2.75 10.15 -79.17 1 9 0 110 494.544 10 ↓

Activity (Go SEA)

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