UCSF

ZINC43984589

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Substance Information

In ZINC since Heavy atoms Benign functionality
May 21st, 2010 18 Yes

Popular Name: (1S,2S)-2-[(4aS,7aS)-3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl]-N-methyl-cycloheptana (1S,2S)-2-[(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) 2.75 5.05 -36.43 2 3 1 29 253.41 2 ↓
Mid Mid (pH 6-8) 2.75 6.83 -113.34 3 3 2 30 254.418 2 ↓

Activity (Go SEA)

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