UCSF

ZINC43428136

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Substance Information

In ZINC since Heavy atoms Benign functionality
May 13th, 2010 21 Yes

Popular Name: (4aS,8aS)-4-[[(3R)-1,2,3,4-tetrahydroisoquinolin-3-yl]methyl]-2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1, (4aS,8aS)-4-[[(3R)-1,2,3,4-tetra…

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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) 2.74 8.48 -35.59 2 3 1 26 287.427 2 ↓
Mid Mid (pH 6-8) 2.74 6.23 -3.57 1 3 0 24 286.419 2 ↓
Lo Low (pH 4.5-6) 2.74 8.4 -125.15 3 3 2 30 288.435 2 ↓

Activity (Go SEA)

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