UCSF

ZINC08602625

Substance Information

In ZINC since Heavy atoms Benign functionality
June 15th, 2007 17 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) 3.52 5.85 -5.96 1 2 0 29 228.291 4

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID EP0277815A2; EP0277815B1 IBM Patent Data

Activity (Go SEA)

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