UCSF

ZINC43985361

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Substance Information

In ZINC since Heavy atoms Benign functionality
May 21st, 2010 20 Yes

Popular Name: (1R)-2-[(4aS,8aS)-2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazin-4-yl]-N-methyl-1-phenyl-ethanamine (1R)-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) 2.94 6.09 -42.9 2 3 1 29 275.416 4 ↓
Hi High (pH 8-9.5) 2.94 5.11 -3.35 1 3 0 24 274.408 4 ↓
Mid Mid (pH 6-8) 2.94 6.9 -32.88 2 3 1 26 275.416 4 ↓
Lo Low (pH 4.5-6) 2.94 8.13 -116.41 3 3 2 30 276.424 4 ↓

Activity (Go SEA)

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