UCSF

ZINC05272095

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Substance Information

In ZINC since Heavy atoms Benign functionality
January 28th, 2006 25 No

Popular Name: N-(8-allyl-3,3-dioxo-3$l^{6},6-dithia-8-azabicyclo[3.3.0]oct-7-ylidene)-2-(4-methoxyphenyl)-acetamid N-(8-allyl-3,3-dioxo-3$l^{6},6-d…

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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) 1.70 4.69 -19.41 0 6 0 76 380.491 5 ↓
Mid Mid (pH 6-8) 1.70 5.67 -48.5 1 6 1 78 381.499 5 ↓
Mid Mid (pH 6-8) 1.70 5.11 -50.03 1 6 1 78 381.499 5 ↓

Activity (Go SEA)

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