UCSF

ZINC21938686

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Substance Information

In ZINC since Heavy atoms Benign functionality
December 10th, 2008 34 Yes

Popular Name: (6aS)-N-[2-(4-benzylpiperazin-1-yl)ethyl]-5-methyl-6-oxo-7,8,9,10-tetrahydro-6aH-pyrido[1,2-a]quinox (6aS)-N-[2-(4-benzylpiperazin-1-…

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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) 2.66 8.84 -57.09 2 7 1 60 462.618 6 ↓
Mid Mid (pH 6-8) 2.66 8.83 -52.92 2 7 1 60 462.618 6 ↓
Mid Mid (pH 6-8) 2.66 6.51 -17.29 1 7 0 59 461.61 6 ↓

Activity (Go SEA)

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