UCSF

ZINC35828119

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Substance Information

In ZINC since Heavy atoms Benign functionality
October 13th, 2009 30 Yes

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

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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) 2.21 3.56 -42.31 0 7 -1 79 407.425 1 ↓
Mid Mid (pH 6-8) 1.66 6.01 -46.54 1 7 0 80 408.433 1 ↓
Mid Mid (pH 6-8) 2.21 5.98 -48.96 1 7 0 80 408.433 1 ↓
Lo Low (pH 4.5-6) 2.36 8.38 -46.9 2 7 1 74 409.441 1 ↓

Activity (Go SEA)

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