UCSF

ZINC17921010

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Substance Information

In ZINC since Heavy atoms Benign functionality
September 28th, 2008 24 No

Popular Name: (3R,3aR,6aR)-3-(4-methylsulfanylphenyl)-2-phenyl-3a,6a-dihydro-3H-pyrrolo[3,4-d]isoxazole-4,6-dione (3R,3aR,6aR)-3-(4-methylsulfanyl…

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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) 2.71 4.29 -39.37 0 5 -1 65 339.396 3 ↓
Ref Reference (pH 7) 2.71 4.2 -46.53 0 5 -1 65 339.396 3 ↓
Lo Low (pH 4.5-6) 2.52 6.83 -8.05 1 5 0 59 340.404 3 ↓

Activity (Go SEA)

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