UCSF

ZINC04081934

Substance Information

In ZINC since Heavy atoms Benign functionality
November 6th, 2005 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) -1.53 -5.14 -7.92 3 5 0 79 162.141 0

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID EP0530367A1; US5457192 IBM Patent Data

Activity (Go SEA)

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