UCSF

ZINC55154107

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
December 11th, 2010 25 Yes

Popular Name: (1S,9aR)-1-[[4-(3-methoxyphenyl)piperazin-1-yl]methyl]-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizine (1S,9aR)-1-[[4-(3-methoxyphenyl)…

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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) 3.66 11.34 -105.77 2 4 2 21 345.531 4 ↓
Hi High (pH 8-9.5) 3.66 7.44 -3.88 0 4 0 19 343.515 4 ↓
Mid Mid (pH 6-8) 3.66 9.33 -40.06 1 4 1 20 344.523 4 ↓
Mid Mid (pH 6-8) 3.66 9.46 -35.23 1 4 1 20 344.523 4 ↓

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Rings

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

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