UCSF

ZINC38468702

Substance Information

In ZINC since Heavy atoms Benign functionality
January 25th, 2010 29 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) 2.67 4.84 -50.92 5 7 1 98 426.965 7

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID WO1999002156A1 IBM Patent Data

Activity (Go SEA)

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