UCSF

ZINC43428048

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Substance Information

In ZINC since Heavy atoms Benign functionality
May 13th, 2010 20 Yes

Popular Name: (4aS,7aS)-4-(1,2,3,4-tetrahydroquinolin-6-ylmethyl)-3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxa (4aS,7aS)-4-(1,2,3,4-tetrahydroq…

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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) 2.81 5.25 -4.02 1 3 0 24 272.392 2 ↓
Mid Mid (pH 6-8) 2.81 7.5 -32.8 2 3 1 26 273.4 2 ↓

Activity (Go SEA)

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