UCSF

ZINC12404614

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Substance Information

In ZINC since Heavy atoms Benign functionality
May 13th, 2008 15 Yes

Popular Name: 5H-[1,2,4]triazino[5,6-b]indol-3-amine, 8-bromo- 5H-[1,2,4]triazino[5,6-b]indol-3…

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CAS Number: 910443-21-9

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) 2.11 -3.55 -8.88 3 5 0 80 264.086 0 ↓

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Rings

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

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