UCSF

ZINC53941062

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
November 27th, 2010 21 Yes

Popular Name: (1S)-3-[(4aS,7aS)-3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl]-1-(3-bromophenyl)-N-meth (1S)-3-[(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) 2.59 6.55 -46.3 2 3 1 29 354.312 5 ↓
Hi High (pH 8-9.5) 2.59 5.44 -3.91 1 3 0 24 353.304 5 ↓
Mid Mid (pH 6-8) 2.59 8.79 -122.21 3 3 2 30 355.32 5 ↓
Lo Low (pH 4.5-6) 2.59 7.69 -39.09 2 3 1 26 354.312 5 ↓

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

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