UCSF

ZINC43428130

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Substance Information

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

Popular Name: (4aS,8aS)-4-[[(2R,3aS,7aR)-2,3,3a,4,5,6,7,7a-octahydro-1H-indol-2-yl]methyl]-2,3,4a,5,6,7,8,8a-octah (4aS,8aS)-4-[[(2R,3aS,7aR)-2,3,3…

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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) 4.15 6.08 -35.74 2 3 1 29 279.448 2 ↓
Mid Mid (pH 6-8) 4.15 8.26 -118.54 3 3 2 30 280.456 2 ↓

Activity (Go SEA)

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