UCSF

ZINC70514382

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
November 19th, 2011 21 Yes

Popular Name: (2R)-6-[(4aS,7aS)-3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl]-2-methyl-2-(propylamino) (2R)-6-[(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) 2.58 3 -34.89 3 4 1 49 299.479 9 ↓
Hi High (pH 8-9.5) 2.58 1.77 -3.78 2 4 0 45 298.471 9 ↓
Mid Mid (pH 6-8) 2.58 5.22 -85.85 4 4 2 51 300.487 9 ↓

Activity (Go SEA)

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