UCSF

ZINC00000471

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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) 2.30 3.13 -14.37 1 4 0 48 221.256 3
Ref Reference (pH 7) 1.93 -1.15 -8.25 1 4 0 51 221.256 3

Vendor Notes

Note Type Comments Provided By
ALOGPS_SOLUBILITY 1.28e+00 g/l DrugBank-approved
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks
Purity 95% Fluorochem
Purity 95+% Matrix Scientific
PUBCHEM_PATENT_ID EP0475160B1; US4332795; US4369182; US4378354; US4421747; US4528193; US6165500 IBM Patent Data
Warnings IRRITANT Matrix Scientific
Therapy muscle relaxant (skeletal) SMDC Pharmakon

Activity (Go SEA)

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