UCSF

ZINC52213781

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
November 7th, 2010 13 Yes

Popular Name: (5S)-1-cyclobutyl-5-ethyl-1,4-diazepane (5S)-1-cyclobutyl-5-ethyl-1,4-di…

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) 1.79 4.13 -34.41 2 2 1 20 183.319 2 ↓
Hi High (pH 8-9.5) 1.79 5.07 -29.8 2 2 1 16 183.319 2 ↓
Hi High (pH 8-9.5) 1.79 2.94 -0.65 1 2 0 15 182.311 2 ↓

Activity (Go SEA)

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