UCSF

ZINC35808569

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Substance Information

In ZINC since Heavy atoms Benign functionality
October 13th, 2009 33 Yes

Popular Name: (4aR,5R)-1'-(2,5-dimethoxyphenyl)-3-methyl-spiro[2,4,4a,6-tetrahydro-1H-pyrazino[1,2-a]quinoline-5,5 (4aR,5R)-1'-(2,5-dimethoxyphenyl…

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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) 2.09 2.25 -53.7 0 9 -1 98 449.487 3 ↓
Mid Mid (pH 6-8) 1.53 4.7 -53.64 1 9 0 99 450.495 3 ↓
Mid Mid (pH 6-8) 2.09 4.66 -56.45 1 9 0 99 450.495 3 ↓

Activity (Go SEA)

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