UCSF

ZINC34528495

Substance Information

In ZINC since Heavy atoms Benign functionality
August 31st, 2009 12 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) -0.33 -1.61 -10.56 4 5 0 95 188.208 2
Lo Low (pH 4.5-6) -0.33 -1.77 -55.22 5 5 1 97 189.216 2

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID EP0266872A1; EP0267673A1; EP0267674A1; US4107030 IBM Patent Data

Activity (Go SEA)

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