UCSF

ZINC43423606

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Substance Information

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

Popular Name: 3-[[(4aS,7aR)-3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl]methyl]-4-chloro-aniline 3-[[(4aS,7aR)-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) 2.15 3.81 -3.55 2 3 0 38 266.772 2 ↓
Lo Low (pH 4.5-6) 2.15 5.9 -30.1 3 3 1 40 267.78 2 ↓

Activity (Go SEA)

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