UCSF

ZINC18054735

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Substance Information

In ZINC since Heavy atoms Benign functionality
September 30th, 2008 33 No

Popular Name: (3S,3aR,6aR)-5-(4-bromophenyl)-2,3-bis(4-methoxyphenyl)-3a,6a-dihydro-3H-pyrrolo[3,4-d]isoxazole-4,6 (3S,3aR,6aR)-5-(4-bromophenyl)-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) 4.95 10.65 -9.5 0 7 0 68 509.356 5 ↓
Ref Reference (pH 7) 4.95 10.84 -12.97 0 7 0 68 509.356 5 ↓

Activity (Go SEA)

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