UCSF

ZINC34941353

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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-(3,4-dimethoxyphenyl)-1-(2-morpholinoethyl)pyrrolid (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) 3.37 7.97 -61.96 0 9 -1 101 523.606 12 ↓
Mid Mid (pH 6-8) 3.37 10.24 -78.55 1 9 0 102 524.614 12 ↓
Lo Low (pH 4.5-6) 3.37 9.48 -61.72 2 9 1 99 525.622 12 ↓

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