UCSF

ZINC12429427

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Substance Information

In ZINC since Heavy atoms Benign functionality
May 15th, 2008 29 No

Popular Name: (3aS,6aR)-5-[(6-methoxyindan-5-yl)methyl]-3-[2-(2-pyridyl)ethyl]-3a,4,6,6a-tetrahydropyrrolo[3,4-d]o (3aS,6aR)-5-[(6-methoxyindan-5-y…

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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) 2.36 0.39 -48.62 1 6 1 56 394.495 6 ↓
Lo Low (pH 4.5-6) 2.36 0.53 -106.9 2 6 2 57 395.503 6 ↓

Activity (Go SEA)

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