UCSF

ZINC39133855

Substance Information

In ZINC since Heavy atoms Benign functionality
February 5th, 2010 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) 0.96 2.52 -7.93 3 4 0 78 158.164 0
Mid Mid (pH 6-8) 0.96 2.44 -10.3 3 4 0 78 158.164 0
Lo Low (pH 4.5-6) 0.96 2.57 -37.01 4 4 1 80 159.172 0

Vendor Notes

Note Type Comments Provided By
Purity 95% Fluorochem
PUBCHEM_PATENT_ID US4006127; WO2000026210A1 IBM Patent Data

Activity (Go SEA)

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