UCSF

ZINC33882543

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
July 31st, 2009 16 Yes

Popular Name: (E)-2,3,4,4a,5,6,7,11b-Octahydro-10-methylbenzo(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-10-methyl-, (E)-; LS-33955 (E)-2,3,4,4a,5,6,7,11b-Octahydro…

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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) 2.72 6.05 -40.85 2 2 1 26 218.32 0 ↓
Hi High (pH 8-9.5) 2.72 4.75 -4.03 1 2 0 21 217.312 0 ↓

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