UCSF

ZINC09373698

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Substance Information

In ZINC since Heavy atoms Benign functionality
August 24th, 2007 37 No

Popular Name: 4-[hydroxy-(4-isopropoxyphenyl)-methylene]-1-(3-morpholinopropyl)-5-(3-nitrophenyl)-pyrrolidine-2,3- 4-[hydroxy-(4-isopropoxyphenyl)-…

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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) 3.26 8.97 -54.03 0 10 -1 128 508.551 10 ↓
Mid Mid (pH 6-8) 3.70 11.1 -53.06 2 10 1 126 510.567 9 ↓
Mid Mid (pH 6-8) 3.26 11.31 -72.45 1 10 0 129 509.559 10 ↓

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