UCSF

ZINC65499369

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Substance Information

In ZINC since Heavy atoms Benign functionality
July 17th, 2011 25 Yes

Popular Name: (2S)-N-[[(3R,8aR)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-yl]methyl]-1-benzyl-pyrrolid (2S)-N-[[(3R,8aR)-3,4,6,7,8,8a-h…

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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) 1.49 6.73 -36.05 2 5 1 46 344.479 5 ↓
Hi High (pH 8-9.5) 1.49 4.86 -10.36 1 5 0 45 343.471 5 ↓
Mid Mid (pH 6-8) 1.49 8.63 -83.72 3 5 2 47 345.487 5 ↓

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

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