UCSF

ZINC65535152

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
July 19th, 2011 25 Yes

Popular Name: 2-(4-fluorophenyl)-3a,3b,4,5,6,7,8,9,9a,9b-decahydro-1H-dicyclopenta[e,g]isoindole-1,3(2H)-dione 2-(4-fluorophenyl)-3a,3b,4,5,6,7…

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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) 0.04 3.66 -53.8 2 7 1 80 341.439 2 ↓
Hi High (pH 8-9.5) 0.04 2.22 -13.2 1 7 0 75 340.431 2 ↓
Lo Low (pH 4.5-6) 0.04 6.35 -115.42 3 7 2 81 342.447 2 ↓
Lo Low (pH 4.5-6) 0.04 4.91 -43.65 2 7 1 77 341.439 2 ↓

Activity (Go SEA)

Rings

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

No pre-computed analogs available. Try a structural similarity search.