UCSF

ZINC43425101

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Substance Information

In ZINC since Heavy atoms Benign functionality
May 13th, 2010 20 Yes

Popular Name: (1S)-2-[(4aS,7aS)-3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl]-1-(3-methoxyphenyl)ethan (1S)-2-[(4aS,7aS)-3,4a,5,6,7,7a-…

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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) 0.22 3.32 -46.83 3 4 1 49 277.388 4 ↓
Hi High (pH 8-9.5) 0.22 2.58 -4.95 2 4 0 48 276.38 4 ↓
Lo Low (pH 4.5-6) 0.22 5.25 -133.83 4 4 2 51 278.396 4 ↓

Activity (Go SEA)

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