UCSF

ZINC61698009

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Substance Information

In ZINC since Heavy atoms Benign functionality
April 15th, 2011 21 Yes

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

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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) 4.13 8.37 -43.09 2 3 1 29 354.312 3 ↓
Hi High (pH 8-9.5) 4.13 7.19 -2.27 1 3 0 24 353.304 3 ↓

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

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