UCSF

ZINC33954854

Substance Information

In ZINC since Heavy atoms Benign functionality
August 4th, 2009 9 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) 1.74 4.17 -3.43 1 1 0 24 119.167 2
Ref Reference (pH 7) 1.74 4.18 -3.55 1 1 0 24 119.167 2

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID EP0996177A2; US4839425 IBM Patent Data
PUBCHEM_PATENT_ID EP1013637A2; EP1013637A3 IBM Patent Data
PUBCHEM_PATENT_ID US5334485 IBM Patent Data

Activity (Go SEA)

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