UCSF

ZINC33444944

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Substance Information

In ZINC since Heavy atoms Benign functionality
July 9th, 2009 34 No

Popular Name: (4E,5S)-5-(4-tert-butylphenyl)-4-[hydroxy-(3-methoxyphenyl)methylene]-1-(4-pyridylmethyl)pyrrolidine (4E,5S)-5-(4-tert-butylphenyl)-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) 4.23 11.81 -43.19 0 6 -1 83 455.534 7 ↓
Lo Low (pH 4.5-6) 4.23 10.68 -20.61 1 6 0 80 456.542 7 ↓
Lo Low (pH 4.5-6) 4.23 11.11 -50.62 2 6 1 81 457.55 7 ↓

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

No pre-computed analogs available. Try a structural similarity search.