UCSF

ZINC34346376

Substance Information

In ZINC since Heavy atoms Benign functionality
August 23rd, 2009 10 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) 0.94 2.08 -6.19 1 3 0 47 146.186 6

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID EP0091367A2; EP0391411A2; US4416890; US4426388; US4454148 IBM Patent Data

Activity (Go SEA)

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