UCSF

ZINC36787553

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Substance Information

In ZINC since Heavy atoms Benign functionality
November 14th, 2009 17 Yes

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

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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) 4.37 8.75 -110.08 3 2 2 21 240.435 4 ↓
Hi High (pH 8-9.5) 4.37 6.68 -31.15 2 2 1 20 239.427 4 ↓
Hi High (pH 8-9.5) 4.37 7.55 -30.31 2 2 1 16 239.427 4 ↓

Activity (Go SEA)

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