UCSF

ZINC43985322

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Substance Information

In ZINC since Heavy atoms Benign functionality
May 21st, 2010 17 Yes

Popular Name: (2S)-4-[(4aS,7aS)-3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl]-N-propyl-butan-2-amine (2S)-4-[(4aS,7aS)-3,4a,5,6,7,7a-…

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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) 2.34 4.51 -37.94 2 3 1 29 241.399 6 ↓
Lo Low (pH 4.5-6) 2.34 6.73 -107.73 3 3 2 30 242.407 6 ↓

Activity (Go SEA)

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