UCSF

ZINC62948951

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Substance Information

In ZINC since Heavy atoms Benign functionality
May 19th, 2011 16 Yes

Popular Name: (4aS,7aS)-4-[(3R,6S)-6-methyl-3-piperidyl]-3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazine (4aS,7aS)-4-[(3R,6S)-6-methyl-3-…

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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) 1.57 1.28 -2.06 1 3 0 24 224.348 1 ↓
Mid Mid (pH 6-8) 1.57 2.53 -38.76 2 3 1 29 225.356 1 ↓
Lo Low (pH 4.5-6) 1.57 3.4 -30.73 2 3 1 26 225.356 1 ↓
Lo Low (pH 4.5-6) 1.57 4.66 -106 3 3 2 30 226.364 1 ↓

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Rings

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

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