UCSF

ZINC36790954

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Substance Information

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

Popular Name: (2S)-N-[[(2S,3aS,7aS)-2,3,3a,4,5,6,7,7a-octahydro-1H-indol-2-yl]methyl]-N-methyl-pentan-2-amine (2S)-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) 4.68 8.97 -110.97 3 2 2 21 240.435 5 ↓
Hi High (pH 8-9.5) 4.68 6.94 -31.46 2 2 1 20 239.427 5 ↓
Hi High (pH 8-9.5) 4.68 7.79 -30.17 2 2 1 16 239.427 5 ↓

Activity (Go SEA)

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