UCSF

ZINC62986996

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Substance Information

In ZINC since Heavy atoms Benign functionality
May 21st, 2011 12 Yes

Popular Name: N-methyl-5,6,7,8-tetrahydro-4H-cyclohepta[d]thiazol-2-amine N-methyl-5,6,7,8-tetrahydro-4H-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) 2.59 4.8 -5.78 1 2 0 25 182.292 1 ↓
Mid Mid (pH 6-8) 2.59 5.19 -23.25 2 2 1 26 183.3 1 ↓

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

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