UCSF

ZINC43423254

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Substance Information

In ZINC since Heavy atoms Benign functionality
May 13th, 2010 21 Yes

Popular Name: [2-[(4aS,8aR)-2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazin-4-yl]-6,7-dihydro-5H-cyclopenta[b]pyrid [2-[(4aS,8aR)-2,3,4a,5,6,7,8,8a-…

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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) 2.38 6.94 -102.75 4 4 2 54 289.423 2 ↓
Hi High (pH 8-9.5) 2.38 6.67 -24.09 3 4 1 53 288.415 2 ↓
Hi High (pH 8-9.5) 2.38 6.52 -50.12 3 4 1 53 288.415 2 ↓

Activity (Go SEA)

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