UCSF

ZINC67741401

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Substance Information

In ZINC since Heavy atoms Benign functionality
September 14th, 2011 25 Yes

Popular Name: 1-(6-chloro-1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)-2-(4-methyl-1,4-diazepan-1-yl)ethanone 1-(6-chloro-1,3,4,5-tetrahydropy…

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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) 2.31 7.77 -44.99 2 5 1 44 361.897 2 ↓
Hi High (pH 8-9.5) 2.31 5.85 -12.69 1 5 0 43 360.889 2 ↓
Lo Low (pH 4.5-6) 2.31 8.33 -40.55 2 5 1 44 361.897 2 ↓

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

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