UCSF

ZINC01519708

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
August 23rd, 2004 11 Yes

Popular Name: 1-Phenylpyrrole 1-Phenylpyrrole

Find On: PubMed — Wikipedia — Google

CAS Numbers: , 4096-21-3 , 635-90-5 , 6942-46-7

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) 2.19 2.39 -4.26 0 1 0 4 143.189 1 ↓

Vendor Notes

Note Type Comments Provided By
BP 131 / 30 TCI
Boiling_Point 131?/30mm Alfa-Aesar
Boiling_Point 131°/30mm Alfa-Aesar
Boiling_Point 133-134?/19mm Alfa-Aesar
Boiling_Point 133-134°/19mm Alfa-Aesar
Melting_Point 57-60? Alfa-Aesar
Melting_Point 57-60° Alfa-Aesar
MP 59 TCI

Activity (Go SEA)

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

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