UCSF

ZINC25991736

Substance Information

In ZINC since Heavy atoms Benign functionality
February 3rd, 2009 16 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) -1.99 -4.49 -13.75 3 7 0 105 232.167 1
Hi High (pH 8-9.5) -1.53 -6.3 -50.01 2 7 -1 108 231.159 1

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID EP0788495A2; WO1996013498A2 IBM Patent Data

Activity (Go SEA)

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