UCSF

ZINC19370910

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Substance Information

In ZINC since Heavy atoms Benign functionality
October 31st, 2008 33 Yes

Popular Name: 1-(8-chloro-3,7-difluoro-10,11-dihydrodibenzo[b,f]thiepin-10-yl)-4-[2-(4-fluorophenyl)ethyl]piperazine 1-(8-chloro-3,7-difluoro-10,11-d…

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Other Names:

MFCD02942518

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) 6.58 15.81 -57.37 1 2 1 8 490.014 4 ↓
Mid Mid (pH 6-8) 6.58 15.05 -51.37 1 2 1 8 490.014 4 ↓
Mid Mid (pH 6-8) 6.58 13.5 -6.38 0 2 0 6 489.006 4 ↓

Activity (Go SEA)

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