UCSF

ZINC26892050

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) -2.38 -0.02 -64.58 5 11 -1 177 461.505 7
Hi High (pH 8-9.5) -2.38 -0.04 -121.43 4 11 -2 176 460.497 7

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID EP0001133A1; EP0008877A1; EP0019345A1; EP0025271A1; EP0025495A1; EP0027323A1; EP0027324A1; EP0034347A2; EP0046596A1; EP0050965A1; EP0053815A1; EP0053816A1; EP0053893A1; EP0055062A1; EP0069962A1; EP0092948A1; EP0092948A2; EP0095764A2; EP0101199A1; EP011601 IBM Patent Data
PUBCHEM_SUBSTANCE_COMMENT NCC_SAMPLE_SUPPLIER : Sequoia Research Products Ltd.; NCC_SUPPLIER_STRUCTURE_ID : SRP01886c; 1 PROPYLENE GLYCOL NIH Clinical Collection via PubChem
PUBCHEM_SUBSTANCE_COMMENT SAMPLE_SUPPLIER: Sequoia Research Products Ltd.; SUPPLIER_STRUCTURE_ID: SRP01886c; SALT: 1 PROPYLENE GLYCOL NIH Clinical Collection via PubChem

Activity (Go SEA)

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