UCSF

ZINC34919274

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Substance Information

In ZINC since Heavy atoms Benign functionality
October 1st, 2009 37 No

Popular Name: (4Z,5R)-4-[(4-ethoxyphenyl)-hydroxy-methylene]-5-(3-pentoxyphenyl)-1-(4-pyridylmethyl)pyrrolidine-2, (4Z,5R)-4-[(4-ethoxyphenyl)-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) 4.90 11.73 -57.51 0 7 -1 92 499.587 12 ↓
Lo Low (pH 4.5-6) 4.90 10.98 -13.74 1 7 0 89 500.595 12 ↓
Lo Low (pH 4.5-6) 4.90 11.45 -43.14 2 7 1 90 501.603 12 ↓

Activity (Go SEA)

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