UCSF

ZINC35299664

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Substance Information

In ZINC since Heavy atoms Benign functionality
October 6th, 2009 35 No

Popular Name: (4E,5S)-4-[(3-butoxyphenyl)-hydroxy-methylene]-1-(3-morpholinopropyl)-5-(3-pyridyl)pyrrolidine-2,3-d (4E,5S)-4-[(3-butoxyphenyl)-hydr…

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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) 2.76 7.73 -63.6 0 8 -1 95 478.569 11 ↓
Mid Mid (pH 6-8) 2.76 9.99 -83.83 1 8 0 96 479.577 11 ↓
Lo Low (pH 4.5-6) 2.76 9.23 -60.5 2 8 1 93 480.585 11 ↓

Activity (Go SEA)

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