UCSF

ZINC43423795

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Substance Information

In ZINC since Heavy atoms Benign functionality
May 13th, 2010 19 Yes

Popular Name: (1R,2S)-1-[(4aS,7aS)-3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl]-1-(3-pyridyl)propan-2 (1R,2S)-1-[(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) 0.62 1.88 -49.09 3 4 1 53 262.377 3 ↓
Hi High (pH 8-9.5) 0.62 1.58 -4.09 2 4 0 51 261.369 3 ↓
Lo Low (pH 4.5-6) 0.62 2.25 -112.75 4 4 2 54 263.385 3 ↓

Activity (Go SEA)

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