UCSF

ZINC34941277

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Substance Information

In ZINC since Heavy atoms Benign functionality
October 1st, 2009 37 No

Popular Name: (4E,5S)-4-[(3-butoxyphenyl)-hydroxy-methylene]-1-(2-morpholinoethyl)-5-(4-nitrophenyl)pyrrolidine-2, (4E,5S)-4-[(3-butoxyphenyl)-hydr…

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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) 3.68 9.47 -58.06 0 10 -1 128 508.551 11 ↓
Mid Mid (pH 6-8) 3.68 11.74 -79.13 1 10 0 129 509.559 11 ↓
Lo Low (pH 4.5-6) 3.68 10.99 -67.86 2 10 1 126 510.567 11 ↓

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