UCSF

ZINC52540155

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Substance Information

In ZINC since Heavy atoms Benign functionality
November 10th, 2010 19 Yes

Popular Name: 1-[3-[[(4aS,7aS)-3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl]methyl]phenyl]-N-methyl-me 1-[3-[[(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) 2.00 5.17 -41.27 2 3 1 29 261.389 4 ↓
Hi High (pH 8-9.5) 2.00 3.73 -3.16 1 3 0 24 260.381 4 ↓
Lo Low (pH 4.5-6) 2.00 7.42 -95.6 3 3 2 30 262.397 4 ↓

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

No pre-computed analogs available. Try a structural similarity search.