UCSF

ZINC20119517

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
November 16th, 2008 27 Yes

Popular Name: (1R)-1-(3-chlorophenyl)-2-[(4-methyl-1H-imidazol-2-yl)methyl]-1,3,4,9-tetrahydropyrido[3,4-b]indole (1R)-1-(3-chlorophenyl)-2-[(4-me…

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) 4.32 10.06 -37.5 3 4 1 49 377.899 3 ↓
Mid Mid (pH 6-8) 4.32 9.55 -10.78 2 4 0 48 376.891 3 ↓
Lo Low (pH 4.5-6) 4.32 11.95 -119.66 4 4 2 50 378.907 3 ↓

Activity (Go SEA)

Rings

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

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