UCSF

ZINC11616324

Substance Information

In ZINC since Heavy atoms Benign functionality
March 1st, 2008 30 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) 6.20 15.83 -10.7 0 3 0 43 412.614 5

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID EP1027057A1; US6117446; WO1999021562A1; WO2000042942A2; WO2000042955A1; WO2000042959A1 IBM Patent Data

Activity (Go SEA)

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