UCSF

ZINC70613228

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
November 21st, 2011 13 Yes

Popular Name: 2-[(4S)-4-ethylazepan-1-yl]-N-methyl-ethanamine 2-[(4S)-4-ethylazepan-1-yl]-N-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) 2.23 6.34 -108.63 3 2 2 21 186.343 4 ↓
Mid Mid (pH 6-8) 2.23 4.9 -31.2 2 2 1 16 185.335 4 ↓
Mid Mid (pH 6-8) 2.23 4.27 -36.9 2 2 1 20 185.335 4 ↓

Activity (Go SEA)

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