UCSF

ZINC69145781

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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-propano (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) -0.82 3.9 -36.25 3 5 0 80 268.357 4 ↓
Hi High (pH 8-9.5) -0.82 3.59 -47.57 2 5 -1 79 267.349 4 ↓
Lo Low (pH 4.5-6) -0.82 5.75 -69.68 4 5 1 81 269.365 4 ↓

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Rings

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

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