UCSF

ZINC22041554

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
December 12th, 2008 25 Yes

Popular Name: 1-(8-Chloro-10,11-dihydrodibenzo(b,f)thiepin-10-yl)-4-(2-propenyl)piperazine maleate; 8-Chloro-10-(4-allylpiperazino)-10,11-dihydrodibenzo(b,f)thiepin maleate; LS-111117; Piperazine, 1-(8-chloro-10,11-dihydrodibenzo(b,f)thiepin-10-yl)-4-(2-propenyl)-, (Z) 1-(8-Chloro-10,11-dihydrodibenzo…

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) 5.03 12.25 -37.67 1 2 1 8 371.957 3 ↓
Mid Mid (pH 6-8) 5.03 9.98 -3.26 0 2 0 6 370.949 3 ↓
Mid Mid (pH 6-8) 5.03 11.45 -36.35 1 2 1 8 371.957 3 ↓

Activity (Go SEA)

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