UCSF

ZINC54930847

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(16),12-dien-15-one 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) 4.28 6.11 -7 1 3 0 46 234.343 0 ↓
Hi High (pH 8-9.5) 4.73 4.14 -48.53 0 3 -1 49 233.335 0 ↓

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Rings

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

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