UCSF

ZINC03960783

Substance Information

In ZINC since Heavy atoms Benign functionality
October 25th, 2005 17 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) -1.42 -8.58 -17.24 4 6 0 101 261.278 2

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID EP0421777A1; EP0421777B1 IBM Patent Data

Activity (Go SEA)

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