UCSF

ZINC43428039

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Substance Information

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

Popular Name: (4aS,7aS)-4-[[(3S)-1,2,3,4-tetrahydroisoquinolin-3-yl]methyl]-3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[ (4aS,7aS)-4-[[(3S)-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) 2.23 6.65 -37.06 2 3 1 26 273.4 2 ↓
Mid Mid (pH 6-8) 2.23 4.84 -3.32 1 3 0 24 272.392 2 ↓
Lo Low (pH 4.5-6) 2.23 6.16 -40.63 2 3 1 29 273.4 2 ↓
Lo Low (pH 4.5-6) 2.23 7.97 -128.2 3 3 2 30 274.408 2 ↓

Activity (Go SEA)

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