UCSF

ZINC54909119

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
December 9th, 2010 21 Yes

Popular Name: (7S)-2-[(4aS,8aS)-2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazin-4-yl]-N-methyl-4,5,6,7-tetrahydro-1 (7S)-2-[(4aS,8aS)-2,3,4a,5,6,7,8…

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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) 3.13 7.47 -39.26 2 4 1 42 308.471 2 ↓
Hi High (pH 8-9.5) 3.13 6.04 -6.12 1 4 0 37 307.463 2 ↓
Mid Mid (pH 6-8) 3.13 7.02 -93.14 3 4 2 43 309.479 2 ↓

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

No pre-computed analogs available. Try a structural similarity search.