UCSF

ZINC05821997

Substance Information

In ZINC since Heavy atoms Benign functionality
February 15th, 2006 10 No

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) 2.82 2.48 -4.22 0 1 0 17 142.242 5

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID EP0237191A1; US4727072; US4758563; US4767743 IBM Patent Data

Activity (Go SEA)

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