UCSF

ZINC34934812

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Substance Information

In ZINC since Heavy atoms Benign functionality
October 1st, 2009 32 No

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

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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) 2.96 6.33 -59.88 0 7 -1 82 455.918 7 ↓
Mid Mid (pH 6-8) 2.96 8.62 -70.66 1 7 0 83 456.926 7 ↓
Lo Low (pH 4.5-6) 2.96 7.85 -53.71 2 7 1 81 457.934 7 ↓

Activity (Go SEA)

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