UCSF

ZINC13551157

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Substance Information

In ZINC since Heavy atoms Benign functionality
June 21st, 2008 29 No

Popular Name: (4E,5S)-1-(2-dimethylaminoethyl)-4-[hydroxy-(p-tolyl)methylene]-5-(3-methoxyphenyl)pyrrolidine-2,3-d (4E,5S)-1-(2-dimethylaminoethyl)…

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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) 2.89 9.93 -74.28 1 6 0 74 394.471 7 ↓
Hi High (pH 8-9.5) 2.89 7.39 -58.84 0 6 -1 73 393.463 7 ↓
Lo Low (pH 4.5-6) 2.89 9.1 -52.72 2 6 1 71 395.479 7 ↓

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