UCSF

ZINC09123668

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Substance Information

In ZINC since Heavy atoms Benign functionality
August 8th, 2007 37 No

Popular Name: 4-[(4-butoxy-3-methyl-phenyl)-hydroxy-methylene]-1-(2-diethylaminoethyl)-5-(4-nitrophenyl)-pyrrolidi 4-[(4-butoxy-3-methyl-phenyl)-hy…

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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) 4.99 14.28 -75.51 1 9 0 120 509.603 13 ↓
Hi High (pH 8-9.5) 4.99 11.99 -53.96 0 9 -1 119 508.595 13 ↓
Mid Mid (pH 6-8) 5.44 13.78 -48.11 2 9 1 117 510.611 12 ↓

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