UCSF

ZINC08899129

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Substance Information

In ZINC since Heavy atoms Benign functionality
August 1st, 2007 34 No

Popular Name: 4-[hydroxy-(4-propoxyphenyl)-methylene]-5-(5-methyl-2-furyl)-1-(3-morpholinopropyl)pyrrolidine-2,3-d 4-[hydroxy-(4-propoxyphenyl)-met…

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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) 2.94 7.42 -60.37 0 8 -1 95 467.542 10 ↓
Mid Mid (pH 6-8) 2.36 9.87 -47.76 1 8 1 90 469.558 10 ↓
Mid Mid (pH 6-8) 3.39 9.99 -46.81 2 8 1 94 469.558 9 ↓
Mid Mid (pH 6-8) 2.94 9.75 -79.58 1 8 0 96 468.55 10 ↓

Activity (Go SEA)

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