UCSF

ZINC69079876

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Substance Information

In ZINC since Heavy atoms Benign functionality
October 18th, 2011 19 Yes

Popular Name: (2S)-3-[(4aS,7aS)-3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl]-2-cyclopropyl-2-(ethylam (2S)-3-[(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) 1.94 5.66 -4.78 1 4 0 48 263.385 5 ↓
Mid Mid (pH 6-8) 1.94 5.39 -36.28 2 4 1 49 264.393 5 ↓
Lo Low (pH 4.5-6) 1.94 6.76 -42.05 2 4 1 53 264.393 5 ↓

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

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