UCSF

ZINC34541367

Substance Information

In ZINC since Heavy atoms Benign functionality
August 31st, 2009 33 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) 3.29 9.78 -14.07 3 8 0 108 445.523 8
Lo Low (pH 4.5-6) 3.29 10.25 -39.29 4 8 1 110 446.531 8

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID US5340816 IBM Patent Data

Activity (Go SEA)

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