UCSF

ZINC16731784

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Substance Information

In ZINC since Heavy atoms Benign functionality
September 6th, 2008 35 No

Popular Name: (5S)-4-(4-allyloxybenzoyl)-3-hydroxy-1-(3-isopropoxypropyl)-5-(4-nitrophenyl)-5H-pyrrol-2-one (5S)-4-(4-allyloxybenzoyl)-3-hyd…

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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) 4.03 11.61 -55.37 0 9 -1 125 479.509 12 ↓
Mid Mid (pH 6-8) 4.48 10.53 -31.41 1 9 0 122 480.517 11 ↓
Mid Mid (pH 6-8) 3.45 11.51 -26.35 0 9 0 119 480.517 12 ↓

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