UCSF

ZINC09275698

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Substance Information

In ZINC since Heavy atoms Benign functionality
August 16th, 2007 34 No

Popular Name: 4-[hydroxy-(4-methoxy-3-methyl-phenyl)-methylene]-5-(4-nitrophenyl)-1-(3-pyridylmethyl)pyrrolidine-2 4-[hydroxy-(4-methoxy-3-methyl-p…

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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) 2.93 9.67 -59.58 0 9 -1 128 458.45 7 ↓
Mid Mid (pH 6-8) 2.93 9.59 -15.3 1 9 0 126 459.458 7 ↓
Mid Mid (pH 6-8) 2.35 0.58 -18.7 0 9 0 122 459.458 7 ↓
Lo Low (pH 4.5-6) 2.93 9.87 -46.09 2 9 1 127 460.466 7 ↓
Lo Low (pH 4.5-6) 2.35 0.69 -49.24 1 9 1 123 460.466 7 ↓

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