UCSF

ZINC12017243

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Substance Information

In ZINC since Heavy atoms Benign functionality
March 23rd, 2008 22 No

Popular Name: (3S,3aR,6aR)-2,3-diphenyl-3a,6a-dihydro-3H-pyrrolo[3,4-d]isoxazole-4,6-dione (3S,3aR,6aR)-2,3-diphenyl-3a,6a-…

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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) 2.27 3.18 -41.09 0 5 -1 65 293.302 2 ↓
Lo Low (pH 4.5-6) 2.09 4.96 -11.48 1 5 0 59 294.31 2 ↓

Activity (Go SEA)

Rings

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