UCSF

ZINC08740829

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Substance Information

In ZINC since Heavy atoms Benign functionality
July 25th, 2007 35 No

Popular Name: 4-[(4-ethoxyphenyl)-hydroxy-methylene]-1-(3-pyridylmethyl)-5-(4-tert-butylphenyl)-pyrrolidine-2,3-di 4-[(4-ethoxyphenyl)-hydroxy-meth…

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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) 4.68 11.49 -63.73 0 6 -1 83 469.561 8 ↓
Mid Mid (pH 6-8) 5.13 11.89 -12.48 1 6 0 80 470.569 7 ↓
Lo Low (pH 4.5-6) 5.13 12.18 -42.17 2 6 1 81 471.577 7 ↓

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