UCSF

ZINC20138404

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Substance Information

In ZINC since Heavy atoms Benign functionality
November 17th, 2008 32 No

Popular Name: (1R,3R,3aS,6aS)-5-(4-fluorophenyl)-3-isobutyl-1-(3-methoxyphenyl)-4,6-dioxo-1,2,3a,6a-tetrahydropyrr (1R,3R,3aS,6aS)-5-(4-fluoropheny…

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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) 1.69 9.46 -38.25 2 7 0 103 440.471 6 ↓
Hi High (pH 8-9.5) 1.69 8.72 -43.89 1 7 -1 99 439.463 6 ↓

Activity (Go SEA)

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