UCSF

ZINC18203873

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Substance Information

In ZINC since Heavy atoms Benign functionality
October 3rd, 2008 13 No

Popular Name: 4-Phenylpyrimidine-2-thiol 4-Phenylpyrimidine-2-thiol

Find On: PubMed — Wikipedia — Google

CAS Number: 60414-59-7

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) 1.67 6.28 -25.58 1 2 0 29 188.255 1 ↓
Ref Reference (pH 7) 1.67 6.18 -20.65 1 2 0 29 188.255 1 ↓
Mid Mid (pH 6-8) 2.40 5.8 -51.52 0 2 -1 26 187.247 1 ↓

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID EP0660827A1; EP0660827B1; EP0712395A1; US4209621; US5128061; US5684011; US5728833; US5914423; WO1995004727A1 IBM Patent Data

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