UCSF

ZINC36813938

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
November 15th, 2009 16 Yes

Popular Name: (5S)-6,8-dichloro-N-ethyl-2,3,4,5-tetrahydro-1-benzoxepin-5-amine (5S)-6,8-dichloro-N-ethyl-2,3,4,…

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) 2.83 6.69 -33.56 2 2 1 26 261.172 2 ↓

Activity (Go SEA)

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