UCSF

ZINC43984704

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Substance Information

In ZINC since Heavy atoms Benign functionality
May 21st, 2010 20 Yes

Popular Name: (1S,2R)-2-[(4aS,7aS)-3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl]-N-methyl-indan-1-amin (1S,2R)-2-[(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) 2.42 6.18 -38.78 2 3 1 29 273.4 2 ↓
Lo Low (pH 4.5-6) 2.42 7.58 -107.86 3 3 2 30 274.408 2 ↓

Activity (Go SEA)

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