UCSF

ZINC43984763

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Substance Information

In ZINC since Heavy atoms Benign functionality
May 21st, 2010 21 Yes

Popular Name: (8R,9S)-9-[(4aS,7aS)-3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl]-N-methyl-1,4-dioxaspi (8R,9S)-9-[(4aS,7aS)-3,4a,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) 1.38 3.11 -38.36 2 5 1 48 297.419 2 ↓
Lo Low (pH 4.5-6) 1.38 5.06 -110.87 3 5 2 49 298.427 2 ↓

Activity (Go SEA)

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