UCSF

ZINC39643046

Substance Information

In ZINC since Heavy atoms Benign functionality
March 2nd, 2010 11 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) 2.22 5.39 -4.04 0 1 0 9 148.205 2

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID EP0345073A1; EP0345074A1; US4009128; US4047963; US4833183; US4965342 IBM Patent Data

Activity (Go SEA)

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