UCSF

ZINC96006011

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
March 19th, 2014 0 Yes

Popular Name: Pyrazinamide Pyrazinamide

Find On: PubMed — Wikipedia — Google

CAS Numbers: 4238-71-5 , 98-96-4 , [98-96-4]

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) -0.71 -2.3 -8.44 2 4 0 69 123.115 1 ↓

Vendor Notes

Note Type Comments Provided By
Mp [°C] 188 - 191 Acros Organics
MP 189 - 191 Enamine Building Blocks
MP 189...191 Enamine Building Blocks
ALOGPS_SOLUBILITY 9.37e+01 g/l DrugBank-approved
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks
Purity 97% Fluorochem
Target Antifection Selleck Chemicals
Patent Database Links EP1422218; EP1884520; EP1958631; GB2378947; US2003028026; US2003105066; US2004198669; US2004254182; US2007184076; US2007196504; US2007219221; US2007249667; US2008255200; WO2005115972; WO2005120516; WO2006016143; WO2007102770; WO2007118329; WO2007133803; W ChEBI
Target Others Selleck Chemicals
UniProt Database Links PHOU2_MYCTU; PNC1_YEAST ChEBI
S phrase S24/25: Avoid contact with skin and eyes. Acros Organics

Activity (Go SEA)

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

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