UCSF

ZINC70096640

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
November 4th, 2011 19 Yes

Popular Name: (2S)-2-[(4aS,8aS)-2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazin-4-yl]-2-pyrimidin-4-yl-ethanamine (2S)-2-[(4aS,8aS)-2,3,4a,5,6,7,8…

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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) 0.28 2.76 -51.94 3 5 1 66 263.365 3 ↓
Hi High (pH 8-9.5) 0.28 2.56 -5.18 2 5 0 64 262.357 3 ↓
Lo Low (pH 4.5-6) 0.28 4.83 -123.45 4 5 2 67 264.373 3 ↓

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

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