UCSF

ZINC62566443

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
May 3rd, 2011 12 Yes

Popular Name: [(3S,9aS)-2,3,4,6,7,8,9,9a-octahydro-1H-pyrido[1,2-a]pyrazin-3-yl]methanol [(3S,9aS)-2,3,4,6,7,8,9,9a-octah…

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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) 0.24 -0.86 -33.24 3 3 1 40 171.264 1 ↓
Hi High (pH 8-9.5) 0.24 0.11 -30.53 3 3 1 37 171.264 1 ↓
Hi High (pH 8-9.5) 0.24 -2.14 -3.24 2 3 0 35 170.256 1 ↓

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

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