UCSF

ZINC05499361

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
February 3rd, 2006 28 Yes

Popular Name: 1,2,3,4-Tetrahydro-2-(3-(diethylamino)-1-oxopropyl)-1-(3-pyridinyl)-9H-pyrido(3,4-b)indole; 1H-Pyrido(3,4-b)indole, 2,3,4,9-tetrahydro-2-(3-(diethylamino)-1-oxopropyl)-1-(3-pyridinyl)-; 9H-Pyrido(3,4-b)indole, 1,2,3,4-tetrahydro-2-(3-(diethylamino)-1-oxop 1,2,3,4-Tetrahydro-2-(3-(diethyl…

Find On: PubMed — Wikipedia — Google

Download: MOL2 SDF SMILES Flexibase

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) 3.09 10.69 -46.49 2 5 1 53 377.512 6 ↓
Lo Low (pH 4.5-6) 3.09 10.97 -91.14 3 5 2 55 378.52 6 ↓

Activity (Go SEA)

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