UCSF

ZINC01383251

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
August 16th, 2004 23 No

Popular Name: 5-oxo-2-(1H-pyrrol-1-yl)-4-(2-thienyl)-5,6,7,8-tetrahydro-4H-chromene-3-carbonitrile 5-oxo-2-(1H-pyrrol-1-yl)-4-(2-th…

Find On: PubMed — Wikipedia — Google

CAS Number: 477854-13-0

Other Names:

MFCD00794109

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) 3.05 3.32 -12.21 0 4 0 55 322.389 2 ↓

Vendor Notes

Note Type Comments Provided By
melting_point 162 - 164 KeyOrganics

Activity (Go SEA)

Rings

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

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