UCSF

ZINC69080702

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Substance Information

In ZINC since Heavy atoms Benign functionality
October 18th, 2011 20 Yes

Popular Name: (2S)-3-[(4aS,8aS)-2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazin-4-yl]-2-cyclopropyl-2-(ethylamino)p (2S)-3-[(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) 2.45 6.37 -4.79 1 4 0 48 277.412 5 ↓
Mid Mid (pH 6-8) 2.45 6.14 -36.32 2 4 1 49 278.42 5 ↓
Lo Low (pH 4.5-6) 2.45 7.35 -42.46 2 4 1 53 278.42 5 ↓

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

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