UCSF

ZINC33824129

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
July 28th, 2009 26 Yes

Popular Name: 1-Piperazineethanol, 4-(2-chloro-10,11-dihydro-7-fluorodibenzo(b,f)thiepin-10-yl)-, (Z)-2-butenedioate (1:2); 4-(2-Chloro-10,11-dihydro-7-fluorodibenzo(b,f)thiepin-10-yl)-1-piperazineethanol maleate (1:2); LS-112169 1-Piperazineethanol, 4-(2-chloro…

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) 3.89 6.27 -4.8 1 3 0 27 392.927 3 ↓
Mid Mid (pH 6-8) 3.89 8.53 -39.88 2 3 1 28 393.935 3 ↓
Mid Mid (pH 6-8) 3.89 7.75 -42.15 2 3 1 28 393.935 3 ↓

Activity (Go SEA)

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

No pre-computed analogs available. Try a structural similarity search.