UCSF

ZINC03916122

Substance Information

In ZINC since Heavy atoms Benign functionality
October 18th, 2005 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) 7.62 3.17 -5.55 0 2 0 20 415.706 5

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID EP0792371A1; US5543417; US5585383 IBM Patent Data

Activity (Go SEA)

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