UCSF

ZINC13549581

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Substance Information

In ZINC since Heavy atoms Benign functionality
June 21st, 2008 34 No

Popular Name: (4E,5R)-4-[(4-butoxy-2-methyl-phenyl)-hydroxy-methylene]-5-phenyl-1-(3-pyridylmethyl)pyrrolidine-2,3 (4E,5R)-4-[(4-butoxy-2-methyl-ph…

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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) 4.41 12.84 -57.95 0 6 -1 83 455.534 9 ↓
Mid Mid (pH 6-8) 4.41 11.19 -10.66 1 6 0 80 456.542 9 ↓
Mid Mid (pH 6-8) 3.83 11.66 -12.13 0 6 0 77 456.542 9 ↓
Lo Low (pH 4.5-6) 4.41 11.5 -39.22 2 6 1 81 457.55 9 ↓
Lo Low (pH 4.5-6) 3.83 11.97 -42.61 1 6 1 78 457.55 9 ↓

Activity (Go SEA)

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