UCSF

ZINC01529675

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) -0.67 -5.72 -139.98 3 7 -2 128 285.192 5

Vendor Notes

Note Type Comments Provided By
ALOGPS_SOLUBILITY 3.87e+00 g/l DrugBank-experimental
UniProt Database Links HIS4_ARATH; HIS51_CAMJE; HIS51_CAMJJ; HIS51_CAMJR; HIS51_LEGPA; HIS51_LEGPH; HIS51_LEGPL; HIS51_METMP; HIS51_NITWN; HIS51_PROMM; HIS51_PSEAE; HIS51_SYNPX; HIS51_VIBVY; HIS52_CAMJE; HIS52_CAMJR; HIS52_LEGPA; HIS52_LEGPH; HIS52_LEGPL; HIS52_METMP; HIS52_NIT ChEBI
UniProt Database Links TRBP2_ARATH; TRPA1_ARATH; TRPA1_CYACA; TRPA2_ARATH; TRPA2_CYACA; TRPA_ACAM1; TRPA_ACIAD; TRPA_ACIB3; TRPA_ACIB5; TRPA_ACIBC; TRPA_ACIBS; TRPA_ACIBT; TRPA_ACIBY; TRPA_ACIC1; TRPA_ACICJ; TRPA_ACIET; TRPA_ACIF2; TRPA_ACIF5; TRPA_ACISJ; TRPA_ACTP2; TRPA_ACTP7 ChEBI
UniProt Database Links TRPA1_ARATH; TRPA2_ARATH; TRPA_MAIZE ChEBI
PUBCHEM_PATENT_ID WO1998040505A1 IBM Patent Data

Activity (Go SEA)

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