UCSF

ZINC19366643

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
October 31st, 2008 18 Yes

Popular Name: 1-Methyl-4-(6,7,8,9-tetrahydro-5H-benzocyclohepten-5-yl)piperazine dihydrochloride; 5-(4-Methylpiperazino)-6,7,8,9-tetrahydro-5H-benzocycloheptene dihydrochloride; LS-112982; Piperazine, 1-methyl-4-(6,7,8,9-tetrahydro-5H-benzocyclohepten-5-yl)-, dihydroch 1-Methyl-4-(6,7,8,9-tetrahydro-5…

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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) 3.10 8.55 -35 1 2 1 8 245.39 1 ↓
Hi High (pH 8-9.5) 3.10 6.17 -1.77 0 2 0 6 244.382 1 ↓

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

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