UCSF

ZINC34225158

Substance Information

In ZINC since Heavy atoms Benign functionality
August 13th, 2009 30 No

Download: MOL2 SDF SMILES Flexibase

Annotations

Vendors

    None

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) 0.36 5.31 -78.32 2 8 -1 113 428.49 4
Lo Low (pH 4.5-6) 0.36 6.54 -102.28 3 8 0 118 429.498 4

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID US4727070 IBM Patent Data

Activity (Go SEA)

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