UCSF

ZINC08433239

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Substance Information

In ZINC since Heavy atoms Benign functionality
July 14th, 2006 36 No

Popular Name: 3-hydroxy-4-(4-isobutoxy-3-methylbenzoyl)-1-(3-morpholin-4-ylpropyl)-5-pyridin-4-yl-1,5-dihydro-2H-pyrrol-2-one 3-hydroxy-4-(4-isobutoxy-3-methy…

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Other Names:

MFCD03274546

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Annotations

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Vendors

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) 2.79 9.59 -50.03 2 8 1 93 494.612 10 ↓
Mid Mid (pH 6-8) 2.21 10.29 -58.78 1 8 1 90 494.612 10 ↓
Lo Low (pH 4.5-6) 2.79 9.87 -112.86 3 8 2 95 495.62 10 ↓
Lo Low (pH 4.5-6) 2.21 10.57 -127.66 2 8 2 91 495.62 10 ↓

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