UCSF

ZINC13783459

Substance Information

In ZINC since Heavy atoms Benign functionality
June 25th, 2008 25 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) 0.18 -2.48 -15.94 4 10 0 139 347.331 5

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID EP0475160B1; EP0755255A1; US6165500; WO1996018398A1 IBM Patent Data

Activity (Go SEA)

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