UCSF

ZINC33759905

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Substance Information

In ZINC since Heavy atoms Benign functionality
July 17th, 2009 36 No

Popular Name: (4E,5R)-4-[(3-butoxyphenyl)-hydroxy-methylene]-1-(2-diethylaminoethyl)-5-(4-dimethylaminophenyl)pyrr (4E,5R)-4-[(3-butoxyphenyl)-hydr…

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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) 4.73 13.96 -51.6 1 7 0 77 493.648 13 ↓
Hi High (pH 8-9.5) 4.73 11.72 -45.87 0 7 -1 76 492.64 13 ↓
Lo Low (pH 4.5-6) 4.73 12.83 -47.53 2 7 1 75 494.656 13 ↓

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