UCSF

ZINC59977949

Substance Information

In ZINC since Heavy atoms Benign functionality
March 13th, 2011 24 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) 8.41 16.82 -6.43 0 1 0 17 330.556 16

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID WO2000015597A1; WO2000049028A1; WO2000052081A1 IBM Patent Data

Activity (Go SEA)

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