UCSF

ZINC34345040

Substance Information

In ZINC since Heavy atoms Benign functionality
August 23rd, 2009 35 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) 7.72 18.65 -45.34 2 2 1 16 465.705 6
Hi High (pH 8-9.5) 7.72 16.43 -4.91 1 2 0 15 464.697 6

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID US4912222 IBM Patent Data

Activity (Go SEA)

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