UCSF

ZINC19093471

Substance Information

In ZINC since Heavy atoms Benign functionality
October 23rd, 2008 14 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) 3.47 5.29 -41.06 3 1 1 28 194.342 1

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID EP0719251A1; EP0719251B1; US4100170; US5514683; WO1995005359A1 IBM Patent Data

Activity (Go SEA)

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