UCSF

ZINC17156957

Substance Information

In ZINC since Heavy atoms Benign functionality
September 16th, 2008 22 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) 0.80 -6.12 -11.83 5 8 0 128 313.306 5

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID EP0570682A1; EP0570682B1 IBM Patent Data

Activity (Go SEA)

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