UCSF

ZINC54896891

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
December 9th, 2010 19 Yes

Popular Name: (7R)-2-[(4aS,7aR)-3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl]-4,5,6,7-tetrahydro-1,3-b (7R)-2-[(4aS,7aR)-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) 0.37 4.8 -46.02 3 4 1 53 280.417 1 ↓
Hi High (pH 8-9.5) 0.37 4.47 -6.45 2 4 0 51 279.409 1 ↓
Mid Mid (pH 6-8) 0.37 5.19 -96.54 4 4 2 54 281.425 1 ↓

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

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