UCSF

ZINC62033533

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Substance Information

In ZINC since Heavy atoms Benign functionality
April 23rd, 2011 18 Yes

Popular Name: (2S,3aS,7aS)-N-(3-methoxypropyl)-N-methyl-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide (2S,3aS,7aS)-N-(3-methoxypropyl)…

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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) 2.49 5.03 -38.73 2 4 1 46 255.382 5 ↓
Hi High (pH 8-9.5) 2.49 3.91 -10.59 1 4 0 42 254.374 5 ↓

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Rings

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

No pre-computed analogs available. Try a structural similarity search.