UCSF

ZINC34384797

Substance Information

In ZINC since Heavy atoms Benign functionality
August 24th, 2009 25 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) 0.95 1.13 -52.28 6 7 1 104 371.889 7
Lo Low (pH 4.5-6) 0.95 3.37 -120.72 7 7 2 106 372.897 7

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID US4906643; US4975439; US5041454; US5130312 IBM Patent Data

Activity (Go SEA)

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