UCSF

ZINC35808560

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Substance Information

In ZINC since Heavy atoms Benign functionality
October 13th, 2009 31 Yes

Popular Name: (4aR,5R)-1'-(4-methoxyphenyl)-3-methyl-spiro[2,4,4a,6-tetrahydro-1H-pyrazino[1,2-a]quinoline-5,5'-he (4aR,5R)-1'-(4-methoxyphenyl)-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) 2.10 2.79 -45.79 0 8 -1 89 419.461 2 ↓
Mid Mid (pH 6-8) 2.25 5.18 -9.32 1 8 0 82 420.469 2 ↓
Mid Mid (pH 6-8) 1.55 5.25 -48.26 1 8 0 90 420.469 2 ↓
Mid Mid (pH 6-8) 2.10 5.2 -50.53 1 8 0 90 420.469 2 ↓
Lo Low (pH 4.5-6) 2.25 7.6 -47.24 2 8 1 83 421.477 2 ↓

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