UCSF

ZINC19735371

Substance Information

In ZINC since Heavy atoms Benign functionality
November 8th, 2008 11 No

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) -3.70 -0.98 -72.09 3 5 -1 108 180.12 4

Vendor Notes

Note Type Comments Provided By
MP 215° Oakwood Chemical
ALOGPS_SOLUBILITY 4.63e+01 g/l DrugBank-experimental
BP 519° Oakwood Chemical
Purity 97% Fluorochem
UniProt Database Links GLNA1_ALNGL; GLNA1_CHLRE; GLNA1_MEDSA; GLNA1_PEA; GLNA1_PHAVU; GLNA1_SOYBN; GLNA2_MEDSA; GLNA2_PEA; GLNA2_PHAVU; GLNA3_PEA; GLNA3_PHAVU; GLNA4_PEA; GLNA4_PHAVU; GLNA_LACSA; GLNA_NICPL; GLNA_PINSY; HEPD_STRVR; HPPE_PSESX; HPPE_STRWE; PAT_ALCFA; PAT_STRCO ChEBI

Activity (Go SEA)

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