UCSF

ZINC00967488

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
August 5th, 2004 11 Yes

Popular Name: 2-phenyl-1H-pyrrole 2-phenyl-1H-pyrrole

Find On: PubMed — Wikipedia — Google

CAS Numbers: 3042-22-6 , [3042-22-6]

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) 2.53 0.7 -4.59 1 1 0 15 143.189 1 ↓

Vendor Notes

Note Type Comments Provided By
Purity 95% Fluorochem
PUBCHEM_PATENT_ID EP0094146A1; EP0310737A1; EP0729463A1; EP0874845A1; WO1999043762A1; WO2000042109A2; WO2000047194A2; WO2000064965A1 IBM Patent Data

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

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