UCSF

ZINC03040629

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
November 6th, 2004 14 No

Popular Name: 4-Methyl-6-phenyl-pyrimidine-2-thiol 4-Methyl-6-phenyl-pyrimidine-2-t…

Find On: PubMed — Wikipedia — Google

CAS Number: 27955-44-8

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) 2.11 6.85 -23.1 1 2 0 29 202.282 1 ↓
Ref Reference (pH 7) 2.11 6.81 -20.07 1 2 0 29 202.282 1 ↓
Hi High (pH 8-9.5) 2.84 6.57 -54.3 0 2 -1 26 201.274 1 ↓

Vendor Notes

Note Type Comments Provided By
MP 208 - 210 Enamine Building Blocks
MP 208...210 Enamine Building Blocks
MP 209 - 210 Enamine Building Blocks
MP 210 - 210 Enamine Building Blocks
MP 210 - 212 Enamine Building Blocks
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks
Warnings IRRITANT Matrix Scientific
PUBCHEM_PATENT_ID WO2000073276A2 IBM Patent Data

Activity (Go SEA)

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