UCSF

ZINC17044769

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Substance Information

In ZINC since Heavy atoms Benign functionality
September 12th, 2008 31 No

Popular Name: (4E,5S)-1-(3-dimethylaminopropyl)-4-[hydroxy-(4-isopropoxyphenyl)methylene]-5-phenyl-pyrrolidine-2,3 (4E,5S)-1-(3-dimethylaminopropyl…

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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) 3.47 11.5 -55.69 1 6 0 74 422.525 9 ↓
Mid Mid (pH 6-8) 3.47 11.01 -43.42 2 6 1 71 423.533 9 ↓
Mid Mid (pH 6-8) 2.89 11.36 -44.79 1 6 1 68 423.533 9 ↓

Activity (Go SEA)

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