UCSF

ZINC34934820

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Substance Information

In ZINC since Heavy atoms Benign functionality
October 1st, 2009 34 No

Popular Name: (4E,5R)-4-[hydroxy-(3-methoxyphenyl)methylene]-1-(2-morpholinoethyl)-5-(3-nitrophenyl)pyrrolidine-2, (4E,5R)-4-[hydroxy-(3-methoxyphe…

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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) 2.22 6.52 -56.53 0 10 -1 128 466.47 8 ↓
Mid Mid (pH 6-8) 2.22 8.8 -72.06 1 10 0 129 467.478 8 ↓
Lo Low (pH 4.5-6) 2.22 8.05 -59.95 2 10 1 126 468.486 8 ↓

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