UCSF

ZINC39134535

Substance Information

In ZINC since Heavy atoms Benign functionality
February 5th, 2010 10 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) -0.39 -0.82 -10.46 3 4 0 76 158.182 2

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID EP0033965A2; EP0126859A1; US4405617; US4563450 IBM Patent Data

Activity (Go SEA)

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