UCSF

ZINC61697993

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Substance Information

In ZINC since Heavy atoms Benign functionality
April 15th, 2011 20 Yes

Popular Name: (1S)-1-[4-[(4aS,7aS)-3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl]-3-chloro-phenyl]-N-me (1S)-1-[4-[(4aS,7aS)-3,4a,5,6,7,…

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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) 3.49 7.7 -43.27 2 3 1 29 295.834 3 ↓
Hi High (pH 8-9.5) 3.49 6.53 -2.6 1 3 0 24 294.826 3 ↓

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

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