UCSF

ZINC13233182

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Substance Information

In ZINC since Heavy atoms Benign functionality
June 12th, 2008 23 Yes

Popular Name: 8-Chloro-6,11-dihydro-11-(1-methyl-4-piperidinylidene)-5H-benzo[5,6]cyclohepta[1,2-b]pyridine 8-Chloro-6,11-dihydro-11-(1-meth…

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CAS Numbers: 38092-89-6 , [38092-89-6]

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) 4.13 12.25 -37.43 1 2 1 17 325.863 0 ↓
Lo Low (pH 4.5-6) 4.13 12.42 -94.8 2 2 2 19 326.871 0 ↓

Activity (Go SEA)

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