UCSF

ZINC17252649

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Substance Information

In ZINC since Heavy atoms Benign functionality
September 17th, 2008 31 No

Popular Name: (4E,5S)-1-(3-dimethylaminopropyl)-4-[hydroxy-(4-isopropoxyphenyl)methylene]-5-(4-pyridyl)pyrrolidine (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) 2.19 9.7 -76.99 1 7 0 87 423.513 9 ↓
Lo Low (pH 4.5-6) 2.19 8.88 -54.64 2 7 1 84 424.521 9 ↓

Activity (Go SEA)

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