UCSF

ZINC43427214

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Substance Information

In ZINC since Heavy atoms Benign functionality
May 13th, 2010 20 Yes

Popular Name: 3-[4-[[(4aS,7aS)-3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl]methyl]phenyl]prop-2-yn-1- 3-[4-[[(4aS,7aS)-3,4a,5,6,7,7a-h…

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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) 1.47 4.79 -47.21 3 3 1 40 271.384 2 ↓
Hi High (pH 8-9.5) 1.47 4.38 -5.62 2 3 0 38 270.376 2 ↓
Lo Low (pH 4.5-6) 1.47 7.04 -90.56 4 3 2 41 272.392 2 ↓

Activity (Go SEA)

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