UCSF

ZINC05549513

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
February 5th, 2006 26 Yes

Popular Name: 1,2,3,4-Tetrahydro-2-(3-(dimethylamino)-1-oxopropyl)-1-(3-pyridinyl)-9H-pyrido(3,4-b)indole; 1H-Pyrido(3,4-b)indole, 2,3,4,9-tetrahydro-2-(3-(dimethylamino)-1-oxopropyl)-1-(3-pyridinyl)-; 9H-Pyrido(3,4-b)indole, 1,2,3,4-tetrahydro-2-(3-(dimethylamino)-1-o 1,2,3,4-Tetrahydro-2-(3-(dimethy…

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) 2.33 9.54 -48.26 2 5 1 53 349.458 4 ↓
Lo Low (pH 4.5-6) 2.33 9.82 -92.24 3 5 2 55 350.466 4 ↓

Activity (Go SEA)

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