UCSF

ZINC01383317

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
November 3rd, 2005 18 No

Popular Name: 4-(dimethylamino)-2-(2-formyl-1H-pyrrol-1-yl)nicotinonitrile 4-(dimethylamino)-2-(2-formyl-1H…

Find On: PubMed — Wikipedia — Google

CAS Number: 303986-36-9

Other Names:

MFCD01314669

Download: MOL2 SDF SMILES Flexibase

Annotations

None

Vendors

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) 1.49 6.28 -48.13 1 5 1 63 241.274 3 ↓

Vendor Notes

Note Type Comments Provided By
melting_point 176 - 178 KeyOrganics

Activity (Go SEA)

Rings

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

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