UCSF

ZINC33882525

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Substance Information

In ZINC since Heavy atoms Benign functionality
July 31st, 2009 15 Yes

Popular Name: (E)-(+-)-2,3,4,4a,5,6,7,11b-Octahydrobenzo(6,7)cyclohept(1,2-b)(1,4)oxazine; Benzo(6,7)cyclohept(1,2-b)(1,4)oxazine, 2,3,4,4a,5,6,7,11b-octahydro-, (E)-(+-)-; LS-33938 (E)-(+-)-2,3,4,4a,5,6,7,11b-Octa…

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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) 2.29 5.49 -40.72 2 2 1 26 204.293 0 ↓
Hi High (pH 8-9.5) 2.29 4.21 -4.21 1 2 0 21 203.285 0 ↓

Activity (Go SEA)

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