UCSF

ZINC54930992

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
December 9th, 2010 17 Yes

Popular Name: 13,14-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-15-amine 13,14-diazabicyclo[10.4.0]hexade…

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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) 4.44 6.61 -27.35 3 3 1 53 234.367 0 ↓
Mid Mid (pH 6-8) 4.44 6.5 -28.21 3 3 1 53 234.367 0 ↓
Mid Mid (pH 6-8) 4.44 6.33 -6.93 2 3 0 52 233.359 0 ↓

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Rings

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

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