UCSF

ZINC22105448

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
December 12th, 2008 17 Yes

Popular Name: 1-[(1R)-1-(2,4-dimethylphenyl)ethyl]-1,4-diazepane 1-[(1R)-1-(2,4-dimethylphenyl)et…

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) 2.69 6.58 -31.1 2 2 1 16 233.379 2 ↓
Lo Low (pH 4.5-6) 2.69 6.37 -38.64 2 2 1 20 233.379 2 ↓

Activity (Go SEA)

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