UCSF

ZINC34918321

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Substance Information

In ZINC since Heavy atoms Benign functionality
October 1st, 2009 35 No

Popular Name: (4E,5R)-5-(3-allyloxyphenyl)-4-[(4-ethoxyphenyl)-hydroxy-methylene]-1-(4-pyridylmethyl)pyrrolidine-2 (4E,5R)-5-(3-allyloxyphenyl)-4-[…

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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) 3.60 9.95 -57.72 0 7 -1 92 469.517 10 ↓
Lo Low (pH 4.5-6) 3.60 9.2 -14.13 1 7 0 89 470.525 10 ↓
Lo Low (pH 4.5-6) 3.60 9.67 -43.34 2 7 1 90 471.533 10 ↓

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