UCSF

ZINC95742708

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Substance Information

In ZINC since Heavy atoms Benign functionality
January 23rd, 2014 11 Yes

Popular Name: 1H-PYRROLO[2,3-B]PYRIDINE-5-METHANAMINE 1H-PYRROLO[2,3-B]PYRIDINE-5-METH…

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CAS Numbers: 267876-25-5 , 267876-36-8

Other Names:

MFCD09475794

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) 0.05 1 -99.7 4 3 2 55 149.197 1 ↓
Hi High (pH 8-9.5) 0.05 0.6 -31.98 3 3 1 53 148.189 1 ↓
Lo Low (pH 4.5-6) 0.05 1.45 -196.52 5 3 3 56 150.205 1 ↓

Activity (Go SEA)

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

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