UCSF

ZINC34528525

Substance Information

In ZINC since Heavy atoms Benign functionality
August 31st, 2009 11 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) 1.43 1.19 -11.42 1 3 0 54 150.133 2
Mid Mid (pH 6-8) 1.43 3.55 -58.3 0 3 -1 57 149.125 2

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID EP0357280A2 IBM Patent Data

Activity (Go SEA)

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