UCSF

ZINC52883607

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
November 15th, 2010 19 Yes

Popular Name: (2R)-1-[(4aS,7aS)-3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl]-2-phenyl-propan-2-amine (2R)-1-[(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) 2.51 4.14 -43.25 3 3 1 40 261.389 3 ↓
Hi High (pH 8-9.5) 2.51 3.95 -2.63 2 3 0 38 260.381 3 ↓
Lo Low (pH 4.5-6) 2.51 6.47 -32.43 3 3 1 40 261.389 3 ↓
Lo Low (pH 4.5-6) 2.51 6.02 -120.33 4 3 2 41 262.397 3 ↓

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Rings

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

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