UCSF

ZINC38292455

Substance Information

In ZINC since Heavy atoms Benign functionality
January 14th, 2010 11 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) 0.81 5.15 -13.76 0 3 0 37 149.149 1

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID EP0987266A1; US4120891; US4218395; WO1994015944A1 IBM Patent Data

Activity (Go SEA)

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