UCSF

ZINC59819547

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
March 11th, 2011 39 Yes

Popular Name: 13-cyclohexyl-4-[[(1S)-1-ethyl-3-(1-piperidyl)propyl]amino]-6,7-dihydroindolo[1,2-d][1,4]benzoxazepi 13-cyclohexyl-4-[[(1S)-1-ethyl-3…

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) 8.02 17.8 -82.03 2 6 0 71 529.725 8 ↓

Activity (Go SEA)

Rings

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

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