UCSF

ZINC69145777

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Substance Information

In ZINC since Heavy atoms Benign functionality
October 19th, 2011 19 Yes

Popular Name: (2S)-3-[(4aS,8aS)-2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazin-4-yl]-2-amino-2-cyclopropyl-propana (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) 0.65 0.04 -49.88 5 5 1 83 268.381 4 ↓
Mid Mid (pH 6-8) 0.65 -0.25 -7.24 4 5 0 82 267.373 4 ↓
Lo Low (pH 4.5-6) 0.65 2.25 -33.52 5 5 1 83 268.381 4 ↓

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Rings

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

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