UCSF

ZINC12758940

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Substance Information

In ZINC since Heavy atoms Benign functionality
May 21st, 2008 31 No

Popular Name: (5S)-1-(2-dimethylaminoethyl)-3-hydroxy-4-(3-methoxybenzoyl)-5-(4-nitrophenyl)-5H-pyrrol-2-one (5S)-1-(2-dimethylaminoethyl)-3-…

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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) 2.40 9.94 -77.97 1 9 0 120 425.441 8 ↓
Hi High (pH 8-9.5) 2.40 7.4 -57.17 0 9 -1 119 424.433 8 ↓
Mid Mid (pH 6-8) 2.85 8.81 -69.14 2 9 1 117 426.449 7 ↓

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