UCSF

ZINC34323240

Substance Information

In ZINC since Heavy atoms Benign functionality
August 23rd, 2009 26 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) 4.45 11.5 -46.15 2 4 1 45 394.322 6
Hi High (pH 8-9.5) 4.45 12.31 -26.47 1 4 0 48 393.314 6

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID US6031114; US6110947; WO1996030339A1 IBM Patent Data

Activity (Go SEA)

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