UCSF

ZINC01716431

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Substance Information

In ZINC since Heavy atoms Benign functionality
October 8th, 2004 21 Yes

Popular Name: (4aS,13bS,14aS)-2,3,4,4a,5,6,7,8,13,13b,14,14a-dodecahydro-1H-isoquinolino[3,2-a]$b-carbolin-6-ium (4aS,13bS,14aS)-2,3,4,4a,5,6,7,8…

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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) 4.64 0.06 -37.81 2 2 1 20 281.423 0 ↓

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID US3117971; US3250768; US3284300; US3291800; WO1999057124A1 IBM Patent Data

Activity (Go SEA)

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