UCSF

ZINC19802382

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
November 10th, 2008 24 Yes

Popular Name: 8-Chloro-10-(4-ethylpiperazino)-10,11-dihydrodibenzo(b,f)thiepin methanesulfonate; LS-111069; Piperazine, 1-(8-chloro-10,11-dihydrodibenzo(b,f)thiepin-10-yl)-4-ethyl-, monomethanesulfonate 8-Chloro-10-(4-ethylpiperazino)-…

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) 4.76 11.76 -38.54 1 2 1 8 359.946 2 ↓
Mid Mid (pH 6-8) 4.76 10.96 -35.74 1 2 1 8 359.946 2 ↓
Mid Mid (pH 6-8) 4.76 9.38 -3.19 0 2 0 6 358.938 2 ↓

Activity (Go SEA)

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