UCSF

ZINC13553141

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Substance Information

In ZINC since Heavy atoms Benign functionality
June 21st, 2008 35 No

Popular Name: (4E,5S)-1-(2-diethylaminoethyl)-4-[(4-fluorophenyl)-hydroxy-methylene]-5-(3,4,5-trimethoxyphenyl)pyr (4E,5S)-1-(2-diethylaminoethyl)-…

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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) 2.96 10.1 -68.08 1 8 0 93 486.54 11 ↓
Hi High (pH 8-9.5) 2.96 7.85 -56.51 0 8 -1 91 485.532 11 ↓
Mid Mid (pH 6-8) 3.40 10.08 -57.36 2 8 1 90 487.548 10 ↓

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