UCSF

ZINC21938379

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Substance Information

In ZINC since Heavy atoms Benign functionality
December 10th, 2008 33 Yes

Popular Name: (6aS)-N-[2-(4-benzylpiperazin-1-yl)ethyl]-6-oxo-5,6a,7,8,9,10-hexahydropyrido[1,2-a]quinoxaline-3-ca (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) 2.42 6.89 -55.91 3 7 1 69 448.591 6 ↓
Mid Mid (pH 6-8) 2.42 6.95 -52.92 3 7 1 69 448.591 6 ↓
Mid Mid (pH 6-8) 2.42 4.57 -16.86 2 7 0 68 447.583 6 ↓

Activity (Go SEA)

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