UCSF

ZINC05616134

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
February 7th, 2006 37 Yes

Popular Name: 1H-Pyrido(3,4-b)indole, 2,3,4,9-tetrahydro-2-((bis(phenylmethyl)amino)acetyl)-1-(3-pyridinyl)-; 2,3,4,9-Tetrahydro-2-((dibenzylamino)acetyl)-1-(3-pyridinyl)-1H-pyrido(3,4-b)indole; 2-((Dibenzylamino)acetyl)-1-(3-pyridyl)-1,2,3,4-tetrahydro-beta-carboline 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) 4.86 15.93 -54.01 2 5 1 53 487.627 7 ↓
Lo Low (pH 4.5-6) 4.86 16.21 -102.21 3 5 2 55 488.635 7 ↓

Activity (Go SEA)

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