UCSF

ZINC52883606

Draw Identity 99% 90% 80% 70%

Substance Information

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

Popular Name: (2S)-1-[(4aS,7aS)-3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl]-2-phenyl-propan-2-amine (2S)-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 4.28 -43.89 3 3 1 40 261.389 3 ↓
Hi High (pH 8-9.5) 2.51 4.55 -3.15 2 3 0 38 260.381 3 ↓
Lo Low (pH 4.5-6) 2.51 6.06 -32.7 3 3 1 40 261.389 3 ↓
Lo Low (pH 4.5-6) 2.51 6.3 -120.73 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.