UCSF

ZINC37168632

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Substance Information

In ZINC since Heavy atoms Benign functionality
November 21st, 2009 21 Yes

Popular Name: (1R,8R)-N-[(8-bromo-2,3-dihydro-1,4-benzodioxin-6-yl)methyl]-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-a (1R,8R)-N-[(8-bromo-2,3-dihydro-…

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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) 2.48 5.4 -46.4 2 4 1 38 354.268 3 ↓
Hi High (pH 8-9.5) 2.48 4.46 -5.11 1 4 0 34 353.26 3 ↓
Lo Low (pH 4.5-6) 2.48 7.88 -116.06 3 4 2 40 355.276 3 ↓
Lo Low (pH 4.5-6) 2.48 6.94 -36.98 2 4 1 35 354.268 3 ↓

Activity (Go SEA)

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