UCSF

ZINC43426560

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Substance Information

In ZINC since Heavy atoms Benign functionality
May 13th, 2010 18 Yes

Popular Name: [2-[(4aS,7aS)-3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl]-4-bromo-phenyl]methanamine [2-[(4aS,7aS)-3,4a,5,6,7,7a-hexa…

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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) 2.69 5.46 -48.85 3 3 1 40 312.231 2 ↓
Hi High (pH 8-9.5) 2.69 5.04 -2.68 2 3 0 38 311.223 2 ↓

Activity (Go SEA)

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