UCSF

ZINC03935371

Substance Information

In ZINC since Heavy atoms Benign functionality
October 20th, 2005 51 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) 6.06 3.62 -16.5 6 9 0 149 678.693 3

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID EP0998924A1; EP0998928A1 IBM Patent Data

Activity (Go SEA)

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