UCSF

ZINC42781719

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Substance Information

In ZINC since Heavy atoms Benign functionality
May 4th, 2010 18 Yes

Popular Name: (2S)-N-[[(2S,3aS,7aS)-2,3,3a,4,5,6,7,7a-octahydro-1H-indol-2-yl]methyl]-N-ethyl-1-methoxy-propan-2-a (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) 3.60 5.43 -29.41 2 3 1 29 255.426 6 ↓
Hi High (pH 8-9.5) 3.61 6.54 -28.57 2 3 1 26 255.426 6 ↓

Activity (Go SEA)

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