UCSF

ZINC05499357

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
February 3rd, 2006 27 Yes

Popular Name: 1H-Pyrido(3,4-b)indole, 2,3,4,9-tetrahydro-2-((diethylamino)acetyl)-1-(3-pyridinyl)-; 2,3,4,9-Tetrahydro-2-((diethylamino)acetyl)-1-(3-pyridinyl)-1H-pyrido(3,4-b)indole; LS-133618 1H-Pyrido(3,4-b)indole, 2,3,4,9-…

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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) 2.82 10.37 -43.52 2 5 1 53 363.485 5 ↓
Lo Low (pH 4.5-6) 2.82 10.65 -91.57 3 5 2 55 364.493 5 ↓

Activity (Go SEA)

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