UCSF

ZINC45625340

Substance Information

In ZINC since Heavy atoms Benign functionality
August 2nd, 2010 16 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) 2.47 5.49 -7.12 1 5 0 75 285.097 4

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID WO1999054313A1 IBM Patent Data

Activity (Go SEA)

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