UCSF

ZINC34944443

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Substance Information

In ZINC since Heavy atoms Benign functionality
October 1st, 2009 33 No

Popular Name: (4E,5S)-4-[(2,5-dimethylphenyl)-hydroxy-methylene]-5-(3-methoxyphenyl)-1-(2-morpholinoethyl)pyrrolid (4E,5S)-4-[(2,5-dimethylphenyl)-…

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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) 3.11 8.17 -60.03 0 7 -1 82 449.527 7 ↓
Mid Mid (pH 6-8) 3.11 10.44 -71.61 1 7 0 83 450.535 7 ↓
Lo Low (pH 4.5-6) 3.11 9.55 -49.58 2 7 1 81 451.543 7 ↓

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