UCSF

ZINC18155767

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Substance Information

In ZINC since Heavy atoms Benign functionality
October 2nd, 2008 35 No

Popular Name: (3R,3aR,6aR)-3-(4,5-dimethoxy-2-nitro-phenyl)-2,5-diphenyl-3a,6a-dihydro-3H-pyrrolo[3,4-d]isoxazole- (3R,3aR,6aR)-3-(4,5-dimethoxy-2-…

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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) 3.56 11.81 -9.97 0 10 0 114 475.457 6 ↓
Ref Reference (pH 7) 3.56 11.88 -13.09 0 10 0 114 475.457 6 ↓

Activity (Go SEA)

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