UCSF

ZINC67947220

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
September 17th, 2011 27 Yes

Popular Name: [(9aS)-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl]-[6-(diethylaminomethyl)pyrazolo[1,5-a]py [(9aS)-1,3,4,6,7,8,9,9a-octahydr…

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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) 0.79 10 -96.99 2 7 2 59 372.517 5 ↓
Hi High (pH 8-9.5) 0.79 5.59 -14.57 0 7 0 57 370.501 5 ↓
Mid Mid (pH 6-8) 0.79 7.74 -54.45 1 7 1 58 371.509 5 ↓

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

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