UCSF

ZINC33600094

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Substance Information

In ZINC since Heavy atoms Benign functionality
July 13th, 2009 27 No

Popular Name: (4E,5S)-5-(4-bromophenyl)-1-(2-dimethylaminoethyl)-4-[hydroxy(4-pyridyl)methylene]pyrrolidine-2,3-di (4E,5S)-5-(4-bromophenyl)-1-(2-d…

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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) 1.93 9.17 -48.6 1 6 0 78 430.302 6 ↓
Hi High (pH 8-9.5) 1.93 6.64 -34.44 0 6 -1 77 429.294 6 ↓
Lo Low (pH 4.5-6) 1.93 8.05 -53.63 2 6 1 75 431.31 6 ↓

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