UCSF

ZINC52569871

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Substance Information

In ZINC since Heavy atoms Benign functionality
November 11th, 2010 32 Yes

Popular Name: 1-[4-[(1S,9aR)-1-(6-methyl-2-pyridyl)-1,3,4,9a-tetrahydropyrido[3,4-b]indol-2-yl]-4-oxo-butyl]piperi 1-[4-[(1S,9aR)-1-(6-methyl-2-pyr…

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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) 2.59 11.55 -37.22 1 6 1 67 431.56 5 ↓
Lo Low (pH 4.5-6) 2.59 11.67 -92.2 2 6 2 69 432.568 5 ↓

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

No pre-computed analogs available. Try a structural similarity search.