UCSF

ZINC34941351

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Substance Information

In ZINC since Heavy atoms Benign functionality
October 1st, 2009 38 No

Popular Name: (4E,5S)-4-[(3-butoxyphenyl)-hydroxy-methylene]-5-(4-tert-butylphenyl)-1-(2-morpholinoethyl)pyrrolidi (4E,5S)-4-[(3-butoxyphenyl)-hydr…

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Download: MOL2 SDF SMILES Flexibase

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) 5.43 11.08 -61.74 0 7 -1 82 519.662 11 ↓
Mid Mid (pH 6-8) 5.43 13.35 -76.59 1 7 0 83 520.67 11 ↓
Lo Low (pH 4.5-6) 5.43 12.6 -56.73 2 7 1 81 521.678 11 ↓

Activity (Go SEA)

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