UCSF

ZINC28631682

Substance Information

In ZINC since Heavy atoms Benign functionality
March 5th, 2009 23 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) -1.82 -0.12 -74.2 6 8 0 142 318.333 7
Hi High (pH 8-9.5) -1.82 -0.44 -48.49 5 8 -1 140 317.325 7

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID EP0219237A1; EP0475160B1; US4865974; US4870017; US5013662; US5354675; US6165500 IBM Patent Data

Activity (Go SEA)

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