UCSF

ZINC39238932

Substance Information

In ZINC since Heavy atoms Benign functionality
February 10th, 2010 9 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) 0.90 -0.93 -4.52 2 2 0 40 132.203 4

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID EP0463061A1; EP0463061B1; US4096325; US4177073; WO1990011070A1 IBM Patent Data

Activity (Go SEA)

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