UCSF

ZINC52540241

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
November 10th, 2010 21 Yes

Popular Name: 1-[2-[2-[(4aS,7aS)-3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl]ethoxy]phenyl]-N-methyl- 1-[2-[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) 2.26 4.93 -37.27 2 4 1 38 291.415 6 ↓
Hi High (pH 8-9.5) 2.26 3.47 -4.9 1 4 0 34 290.407 6 ↓
Mid Mid (pH 6-8) 2.26 7.25 -98.71 3 4 2 40 292.423 6 ↓

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

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