UCSF

ZINC13549858

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Substance Information

In ZINC since Heavy atoms Benign functionality
June 21st, 2008 30 No

Popular Name: (4E,5S)-4-[(4-bromophenyl)-hydroxy-methylene]-1-(3-dimethylaminopropyl)-5-(4-methoxyphenyl)pyrrolidi (4E,5S)-4-[(4-bromophenyl)-hydro…

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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) 3.54 10.67 -74.98 1 6 0 74 473.367 8 ↓
Mid Mid (pH 6-8) 3.99 10.53 -53.27 2 6 1 71 474.375 7 ↓
Mid Mid (pH 6-8) 2.96 10.8 -46.65 1 6 1 68 474.375 8 ↓

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