UCSF

ZINC39228417

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Substance Information

In ZINC since Heavy atoms Benign functionality
February 9th, 2010 32 Yes

Popular Name: [(9aS)-1,3,4,9a-tetrahydropyrido[3,4-b]indol-2-yl]-[(1R,2S)-2-[4-(2-hydroxyethyl)piperazine-1-carbon [(9aS)-1,3,4,9a-tetrahydropyrido…

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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) 2.26 6.71 -22.11 2 7 0 80 438.572 4 ↓
Lo Low (pH 4.5-6) 2.26 9 -55.31 3 7 1 81 439.58 4 ↓

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