UCSF

ZINC54931079

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Substance Information

In ZINC since Heavy atoms Benign functionality
December 9th, 2010 13 Yes

Popular Name: N-methyl-6,7,8,9-tetrahydro-5H-cyclohepta[c]pyridazin-3-amine N-methyl-6,7,8,9-tetrahydro-5H-c…

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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) 2.28 4.38 -24.86 2 3 1 39 178.259 1 ↓
Mid Mid (pH 6-8) 2.28 4.25 -8.14 1 3 0 38 177.251 1 ↓
Mid Mid (pH 6-8) 2.28 4.42 -25.17 2 3 1 39 178.259 1 ↓

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Rings

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

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