UCSF

ZINC12489267

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Substance Information

In ZINC since Heavy atoms Benign functionality
May 16th, 2008 36 No

Popular Name: (4Z,5R)-4-[(4-allyloxy-2-methyl-phenyl)-hydroxy-methylene]-1-(3-morpholinopropyl)-5-(p-tolyl)pyrroli (4Z,5R)-4-[(4-allyloxy-2-methyl-…

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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) 4.05 10.52 -59.81 0 7 -1 82 489.592 10 ↓
Mid Mid (pH 6-8) 4.50 11.83 -50.87 2 7 1 81 491.608 9 ↓
Mid Mid (pH 6-8) 4.05 12.85 -77.57 1 7 0 83 490.6 10 ↓

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