UCSF

ZINC01742215

Annotations

Vendors

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) -3.40 -4.94 -46.79 4 4 0 87 119.12 3

Vendor Notes

Note Type Comments Provided By
MP 182 - 184 Enamine Building Blocks
MP 182...184 Enamine Building Blocks
MP 185 - 186 Enamine Building Blocks
MP 185...186 Enamine Building Blocks
Mp [°C] 188 - 189 Acros Organics
Melting_Point 188-189? Alfa-Aesar
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks
Purity 95% Fluorochem
Purity 95+% Matrix Scientific
UniProt Database Links ADOM_BPT3; AHLLA_BACTK; AHLLB_AGRRK; AHLLB_AGRT5; AHLLM_AGRT5; AHLLM_AZOC5; AHLLM_RHIL3; AHLLM_RHIRD; AHLL_ARTSP; AHLL_BACCE; AHLL_BACSP; AHLL_BACT3; AHLL_BACTA; AHLL_BACTU; AHLL_MICTS; AHYI_AERHY; AK1H_ECOLI; AK1H_SERMA; AK1_ARATH; AK1_BACSU; AK2H_ECOLI ChEBI
Patent Database Links EP1113008; EP1132380; EP1422218; EP1972615; US2004158936; US2006166897; US2007190087; US2007191592; US2007232687; US2007237834; US2007264194; US2008057127; WO2005007634; WO2005023838; WO2005051304 ChEBI
Warnings IRRITANT Matrix Scientific
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.