UCSF

ZINC03861771

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) -2.51 -2.52 -35.8 3 3 0 67 135.188 3

Vendor Notes

Note Type Comments Provided By
MP 110 - 113 Enamine Building Blocks
MP 110...113 Enamine Building Blocks
ALOGPS_SOLUBILITY 6.58e+01 g/l DrugBank-experimental
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks
Purity 95% Fluorochem
UniProt Database Links ADAA_BACSU; ADAB_BACSU; ADA_ECOLI; ADA_SALTY; ALKA_MYCTU; CFR_BACA2; CFR_BACSK; CFR_CLOB1; CFR_CLOBH; CFR_CLOBK; CFR_CLOBL; CFR_CLOBM; CFR_CLOPH; CFR_STAAU; CFR_STASC; CFR_STAWA; CRBA1_BOVIN; CRBA1_HUMAN; CRBA1_MOUSE; CRBA1_RAT; CRGC_BOVIN; CRGC_CANFA; CR ChEBI
Patent Database Links EP1808184 ChEBI
MP ~240 °C (dec.) Indofine

Activity (Go SEA)

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