UCSF

ZINC03644766

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
November 9th, 2004 21 Yes

Popular Name: 1-Propanamine, N,N-dimethyl-3-(oxidothieno(2,3-c)(2)benzothiepin-4(9H)-ylidene)-; 1-Propanamine, N,N-dimethyl-3-thieno(2,3-c)(2)benzothiepin-4(9H)-yildene-, S-oxide; Dithiaden S-oxide; LS-119509; N,N-Dimethyl-3-thieno(2,3-c)(2)benzothiepin-4(9H)-ylidene-1 1-Propanamine, N,N-dimethyl-3-(o…

Find On: PubMed — Wikipedia — Google

Download: MOL2 SDF SMILES Flexibase

Annotations

Vendors

    None

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) 3.50 8.44 -39.49 2 2 1 25 318.487 3 ↓
Hi High (pH 8-9.5) 3.50 5.94 -6.26 1 2 0 23 317.479 3 ↓

Activity (Go SEA)

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