UCSF

ZINC09312732

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
August 18th, 2007 32 No

Popular Name: 1-benzyl-4-[hydroxy-(2-methyl-2,3-dihydrobenzofuran-5-yl)-methylene]-5-(4-pyridyl)pyrrolidine-2,3-di 1-benzyl-4-[hydroxy-(2-methyl-2,…

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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) 2.88 9.51 -57.75 0 6 -1 83 425.464 5 ↓
Mid Mid (pH 6-8) 3.32 9.83 -12.44 1 6 0 80 426.472 4 ↓
Mid Mid (pH 6-8) 2.29 -0.62 -13.11 0 6 0 76 426.472 5 ↓
Lo Low (pH 4.5-6) 3.32 10.13 -54.32 2 6 1 81 427.48 4 ↓
Lo Low (pH 4.5-6) 2.29 -0.51 -49.55 1 6 1 77 427.48 5 ↓

Activity (Go SEA)

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