UCSF

ZINC42782002

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
May 4th, 2010 19 Yes

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

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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) 4.72 7 -30.42 2 2 1 20 279.37 6 ↓
Lo Low (pH 4.5-6) 4.72 8.68 -114.55 3 2 2 21 280.378 6 ↓

Activity (Go SEA)

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