UCSF

ZINC19615752

Substance Information

In ZINC since Heavy atoms Benign functionality
November 5th, 2008 12 Yes

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) 1.85 3.45 -7.31 1 2 0 29 185.585 0
Mid Mid (pH 6-8) 1.84 2.21 -35.93 1 2 -1 39 184.577 0

Vendor Notes

Note Type Comments Provided By
Purity 95% Fluorochem
PUBCHEM_PATENT_ID EP0153818A2; EP0156603A2; EP0164860A1; EP0175551A1; EP0208510A2; EP0208510B1; EP0244918A2; EP0276500A2; EP0276500B1; EP0399748A2; EP0399748B1; EP0608058A1; EP0680321A1; EP0680321B1; US4556672; US4569942; US4658037; US4690943; US4721712; US4730004; US47526 IBM Patent Data

Activity (Go SEA)

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