UCSF

ZINC33820276

Substance Information

In ZINC since Heavy atoms Benign functionality
July 21st, 2009 10 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) 2.24 6.58 -43.64 0 2 -1 40 141.19 5
Lo Low (pH 4.5-6) 2.24 4.61 -5.54 1 2 0 37 142.198 5

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID WO2000031211A1 IBM Patent Data

Activity (Go SEA)

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